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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
Names and Synonyms:
Pyrrolidonyl-Β-Naphthylamide
2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (2S)-
2-Pyrrolidinecarboxamide, N-2-naphthyl-5-oxo-, L-
2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (S)-
(2S)-N-2-Naphthalenyl-5-oxo-2-pyrrolidinecarboxamide
L-Pyrrolidonecarboxy-β-naphthylamide
L-N-β-Naphthyl-5-oxo-2-pyrrolidinecarboxamide
(2S)-N-Naphthalen-2-yl-5-oxopyrrolidine-2-carboxamide
Identifiers:
SMILES:
OC1=N[C@H](C(O)=Nc2ccc3ccccc3c2)CC1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.29 g/mol | CAS Common Chemistry |
| 254.289 g/mol | RDKit | |
| 254.105527688 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 |
| Molar Refractivity | 76.75760000000004 | RDKit |
