Back to Search
Vince Lactam
CAS: 130931-83-8 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
130931-83-8
Molecular Formula:
C6H7NO
Molecular Mass:
109.13 g/mol
Names and Synonyms:
Vince Lactam
2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-
2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S)-
(1S,4R)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(1S,4R)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(1S,4R)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(+)-Vince lactam
Identifiers:
SMILES:
OC1=N[C@@H]2C=C[C@H]1C2
InChI:
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
Key Properties
Melting Point
93-95 °C
CAS Common Chemistry
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 |
|---|
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 | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999999 g/mol | RDKit | |
| 109.052763844 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vince_lactam | CAS Common Chemistry |
| Canonical SMILES | O=C1NC2C=CC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DDUFYKNOXPZZIW-CRCLSJGQSA-N | CAS Common Chemistry |
| Melting Point | 93-95 °C | CAS Common Chemistry |
| Name | (+)-2-Azabicyclo[2.2.1]hept-5-en-3-one | CAS Common Chemistry |
| Vince lactam | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.9012 | RDKit |
| Molar Refractivity | 31.09879999999999 | RDKit |
