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Molecule
Pyrrolidonyl-Β-Naphthylamide
CAS: 22155-91-5 · C15H14N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22155-91-5
- Molecular Formula
- C15H14N2O2
- Molecular Mass
- 254.29 g/mol
Identifiers
CAS Registry Number
22155-91-5
SMILES
OC1=N[C@H](C(O)=Nc2ccc3ccccc3c2)CC1
InChI Key
BZEPQNMASTUAMY-ZDUSSCGKSA-N
InChI
InChI=1S/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)/t13-/m0/s1
Names and Synonyms
- Pyrrolidonyl-Β-Naphthylamide Common Name
- 2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (2S)- Synonym
- 2-Pyrrolidinecarboxamide, N-2-naphthyl-5-oxo-, L- Synonym
- 2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (S)- Synonym
- (2S)-N-2-Naphthalenyl-5-oxo-2-pyrrolidinecarboxamide Synonym
- L-Pyrrolidonecarboxy-β-naphthylamide Synonym
- L-N-β-Naphthyl-5-oxo-2-pyrrolidinecarboxamide Synonym
- (2S)-N-Naphthalen-2-yl-5-oxopyrrolidine-2-carboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.29 g/mol | CAS Common Chemistry |
| 254.289 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyrrolidonyl-%CE%B2-naphthylamide | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(C(=O)NC=2C=CC=3C=CC=CC3C2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BZEPQNMASTUAMY-ZDUSSCGKSA-N | CAS Common Chemistry |
| Name | (2S)-N-2-Naphthalenyl-5-oxo-2-pyrrolidinecarboxamide | CAS Common Chemistry |
| Pyrrolidonyl-β-naphthylamide | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 3.546700000000002 | RDKit |
| 3.5467 | RDKit | |
| Molar Refractivity | 76.75760000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 254.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 254.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14N2O2.
