Completing data — usually done within a minute
Basic information
- CAS
5407-84-1- Standard SMILES
N#CCC1(c2ccccc2)CCCC1- InChIKey
MSILGXYVRBMZJA-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- (1-Phenylcyclopentyl)acetonitrile
- IUPAC
- 2-(1-phenylcyclopentyl)acetonitrile
Names & synonyms
2-(1-phenylcyclopentyl)acetonitrile5407-84-1(1-phenylcyclopentyl)acetonitrileNSC10727SCHEMBL8315393DTXSID30278937MSILGXYVRBMZJA-UHFFFAOYSA-N(1-phenyl-cyclopentyl)-acetonitrileNSC 10727NSC-10727EN300-1865100
Database identifiers
- CAS
5407-84-1- PubChem CID
- 223258
- DTXSID
DTXSID30278937- Nikkaji
- J2.185.055A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
7 records
Compound notes
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