1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile

C12H21NO — CID 79130650

IUPAC1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC(C)C(C)(O)C1(C#N)CCCC1
InChIInChI=1S/C12H21NO/c1-4-10(2)11(3,14)12(9-13)7-5-6-8-12/h10,14H,4-8H2,1-3H3
InChIKeyXWMHCSNHPDELKH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile

1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile (PubChem CID 79130650) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile
PubChem CID79130650
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC(C)C(C)(O)C1(C#N)CCCC1
InChIInChI=1S/C12H21NO/c1-4-10(2)11(3,14)12(9-13)7-5-6-8-12/h10,14H,4-8H2,1-3H3
InChIKeyXWMHCSNHPDELKH-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-1-oxopropan-2-yl)cyclooctane-1-carbonitrile
CID 80603940
1-(2-hydroxy-1-oxopropan-2-yl)cyclohexane-1-carbonitrile
CID 79126716
1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
CID 111463620
2-butan-2-yl-2-hydroxy-3-methylpentanenitrile
CID 21399613
1-(2-hydroxy-1-methoxybutan-2-yl)cycloheptane-1-carbonitrile
CID 79131621
1-[1-(4-bromophenyl)-1-hydroxyethyl]cyclooctane-1-carbonitrile
CID 80604006
1-[(3R)-3-hydroxyhex-1-yn-3-yl]cyclobutane-1-carbonitrile
CID 125470078
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
2,3,4-trimethylhexane-2,3-diol
CID 12714107
1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile
CID 79137087
3-ethyl-1-(2-hydroxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79131191
2-bromo-2-(1-cyanocyclohexyl)butanoic acid
CID 70504606

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile (CID 79130650) is 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile is CCC(C)C(C)(O)C1(C#N)CCCC1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is XWMHCSNHPDELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(2)11(3,14)12(9-13)7-5-6-8-12/h10,14H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile?
1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentan-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).