(2S)-2-cyclohexyl-2-phenylacetonitrile

C14H17N — CID 6992167

IUPAC(2S)-2-cyclohexyl-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2/t14-/m1/s1
InChIKeyIZSWBXTYTALSOZ-CQSZACIVSA-N
MW199.30 g/mol
LogP3.87
Rot. Bonds2

About (2S)-2-cyclohexyl-2-phenylacetonitrile

(2S)-2-cyclohexyl-2-phenylacetonitrile (PubChem CID 6992167) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-phenylacetonitrile
PubChem CID6992167
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2S)-2-cyclohexyl-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2/t14-/m1/s1
InChIKeyIZSWBXTYTALSOZ-CQSZACIVSA-N
XLogP3.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
2-cyclohexyl-2-pyridin-3-ylacetonitrile
CID 82931254
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile
CID 70345232
(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
CID 95396519
(2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
CID 95396518
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
2-cyclopentyl-2-(3-nitrophenyl)acetonitrile
CID 103193927
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-phenylacetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-phenylacetonitrile (CID 6992167) is (2S)-2-cyclohexyl-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-phenylacetonitrile is N#C[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-phenylacetonitrile?
The InChIKey is IZSWBXTYTALSOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2/t14-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-phenylacetonitrile?
(2S)-2-cyclohexyl-2-phenylacetonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-phenylacetonitrile is sourced from PubChem (CID 6992167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).