2,3,3-Trimethyl-1-cyclopentene-1-acetonitrile
Basic information
- CAS
1727-76-0- Standard SMILES
CC1=C(CC#N)CCC1(C)C- InChIKey
PBAKTNCSUCNJRE-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Names & identifiers
- Preferred name
- 2,3,3-Trimethyl-1-cyclopentene-1-acetonitrile
- IUPAC
- 2-(2,3,3-trimethylcyclopenten-1-yl)acetonitrile
- English name
- 2,3,3-trimethylcyclopent-1-enylacetonitrile
- Molecular formula
- C10H15N
- Molecular weight
- 149.2328
Names & synonyms
2,3,3-Trimethylcyclopent-1-enylacetonitrile2FBN66B9HS2,3,3-Trimethyl-1-cyclopentene-1-acetonitrile1-cyclopentene-1-acetonitrile, 2,3,3-trimethyl-DTXSID50169373RefChem:81188DTXCID90918641727-76-0EINECS 217-042-22-(2,3,3-trimethylcyclopenten-1-yl)acetonitrileUNII-2FBN66B9HSPBAKTNCSUCNJRE-UHFFFAOYSA-N
Show more names
NS00025660(2,3,3-Trimethylcyclopent-1-en-1-yl)acetonitrile
Database identifiers
- CAS
1727-76-0- PubChem CID
- 74412
- DTXSID
DTXSID50169373- UNII
- 2FBN66B9HS
- EC Number
- 217-042-2
- Nikkaji
- J203.127B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- FDA UNII
- 2 FBN66B9HS · 2FBN66B9HS
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Compound notes
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