1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile

C11H19NO — CID 79137087

IUPAC1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile
SMILESCCC(C)C(O)C1(C#N)CCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)10(13)11(8-12)6-4-5-7-11/h9-10,13H,3-7H2,1-2H3
InChIKeyWVZMOLVTDASWSV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.48
Rot. Bonds3

About 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile

1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile (PubChem CID 79137087) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile
PubChem CID79137087
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile
SMILESCCC(C)C(O)C1(C#N)CCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)10(13)11(8-12)6-4-5-7-11/h9-10,13H,3-7H2,1-2H3
InChIKeyWVZMOLVTDASWSV-UHFFFAOYSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-methylbutyl)cyclohexane-1-carbonitrile
CID 79131643
1-(1-hydroxy-2-methylbutyl)cycloheptane-1-carbonitrile
CID 79131876
1-(2-ethyl-1-hydroxybutyl)cycloheptane-1-carbonitrile
CID 79136082
1-(1-hydroxy-2-methylbutyl)-3-methylcyclohexane-1-carbonitrile
CID 79136737
1-(1-hydroxy-2,2-dimethoxyethyl)cyclobutane-1-carbonitrile
CID 79128068
1-(1-hydroxy-3-methoxy-2-methylpropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116503423
1-propan-2-ylcyclopentane-1-carbonitrile
CID 58070341
4-tert-butyl-1-(1-hydroxy-3-methoxy-2-methylpropyl)cyclohexane-1-carbonitrile
CID 116503435
1-(1-methoxypropan-2-yl)cyclohexane-1-carbonitrile
CID 126977196
1-[(1R)-1-aminoethyl]cyclohexane-1-carbonitrile
CID 90188552
1-(1-hydroxy-3,3-dimethylbutyl)cycloheptane-1-carbonitrile
CID 79132948
methyl 2-(1-cyanocycloheptyl)-2-hydroxyacetate
CID 79127181

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile (CID 79137087) is 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile is CCC(C)C(O)C1(C#N)CCCC1.
What is the InChIKey of 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile?
The InChIKey is WVZMOLVTDASWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(2)10(13)11(8-12)6-4-5-7-11/h9-10,13H,3-7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile?
1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79137087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).