1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile

C12H21NO — CID 79132598

IUPAC1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(7-9,8-13)10(14)11(2,3)4/h9-10,14H,5-7H2,1-4H3
InChIKeySGYGYHNLURGNRU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.72
Rot. Bonds1

About 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile

1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile (PubChem CID 79132598) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
PubChem CID79132598
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(7-9,8-13)10(14)11(2,3)4/h9-10,14H,5-7H2,1-4H3
InChIKeySGYGYHNLURGNRU-UHFFFAOYSA-N
XLogP2.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
CID 79133151
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
1-[(4-bromophenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79136299
1-[hydroxy-(5-methylfuran-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79137005
1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79136969
1-(1-hydroxy-2-oxoethyl)-4-methylcyclohexane-1-carbonitrile
CID 79127641
1-(1-hydroxy-2-oxoethyl)-3-methylcyclohexane-1-carbonitrile
CID 79128992
1-[(1,3-dimethylpyrazol-4-yl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 83095003
2-(4-tert-butyl-1-cyanocyclohexyl)-2-hydroxyacetic acid
CID 79128430
1-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79131019
1-(1-hydroxy-2-methylbutyl)-3-methylcyclohexane-1-carbonitrile
CID 79136737
4-tert-butyl-1-[cyclohexyl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79137065

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile (CID 79132598) is 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(C(O)C(C)(C)C)C1.
What is the InChIKey of 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile?
The InChIKey is SGYGYHNLURGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-12(7-9,8-13)10(14)11(2,3)4/h9-10,14H,5-7H2,1-4H3.
What are the key properties of 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile?
1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).