2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile

C14H17N — CID 70345232

IUPAC2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile
SMILESCC1(C)CC(C(C#N)c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(2)8-12(9-14)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3
InChIKeyFFSQFWMBVMCZSA-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.73
Rot. Bonds2

About 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile

2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile (PubChem CID 70345232) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile
PubChem CID70345232
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile
SMILESCC1(C)CC(C(C#N)c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(2)8-12(9-14)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3
InChIKeyFFSQFWMBVMCZSA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491888
2-cyclohexa-2,4-dien-1-yl-2-phenylacetonitrile
CID 67965946
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
(2R)-3-oxo-2-phenyl-4-[(1S,5R,7R)-3,3,7-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butanenitrile
CID 23350612
(2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
CID 95396518
(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
CID 95396519
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
2-(1,1-dioxothiolan-2-yl)-2-phenylacetonitrile
CID 154095676
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile?
The IUPAC name of 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile (CID 70345232) is 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile?
The canonical SMILES for 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile is CC1(C)CC(C(C#N)c2ccccc2)C1.
What is the InChIKey of 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile?
The InChIKey is FFSQFWMBVMCZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2)8-12(9-14)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile?
2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclobutyl)-2-phenylacetonitrile is sourced from PubChem (CID 70345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).