2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile

C15H23NO — CID 113383670

IUPAC2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1CCCC(O)(C2(C#N)CC3CCC2C3)C1
InChIInChI=1S/C15H23NO/c1-11-3-2-6-15(17,8-11)14(10-16)9-12-4-5-13(14)7-12/h11-13,17H,2-9H2,1H3
InChIKeyGYQVFDUABHIILB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds1

About 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile

2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 113383670) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID113383670
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1CCCC(O)(C2(C#N)CC3CCC2C3)C1
InChIInChI=1S/C15H23NO/c1-11-3-2-6-15(17,8-11)14(10-16)9-12-4-5-13(14)7-12/h11-13,17H,2-9H2,1H3
InChIKeyGYQVFDUABHIILB-UHFFFAOYSA-N
XLogP3.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-hydroxyspiro[4.5]decan-8-yl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 114821132
(1S)-1-ethynyl-3-methylcyclohexan-1-ol
CID 134930490
1-(1-ethyl-4-hydroxyazepan-4-yl)-3-methylcyclohexane-1-carbonitrile
CID 79131642
trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
CID 30072442
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
(1R,2R,3S)-3-hydroxy-1-(1-hydroxycyclobutyl)-2,3-dimethylcyclohexane-1-carbonitrile
CID 11644257
3-methyl-1-(sulfanylamino)cyclohexane-1-carbonitrile
CID 155238451
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
1-(1-hydroxy-2,4,4-trimethylcyclopentyl)-3-methylcyclohexane-1-carbonitrile
CID 106664439
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
2-pentan-2-ylbicyclo[2.2.1]heptane-2-carbonitrile
CID 130514472
1-(1-hydroxy-2-oxoethyl)-3-methylcyclohexane-1-carbonitrile
CID 79128992

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile (CID 113383670) is 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile is CC1CCCC(O)(C2(C#N)CC3CCC2C3)C1.
What is the InChIKey of 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is GYQVFDUABHIILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-3-2-6-15(17,8-11)14(10-16)9-12-4-5-13(14)7-12/h11-13,17H,2-9H2,1H3.
What are the key properties of 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile?
2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 233.35 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 113383670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).