1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile

C10H17NO — CID 79133151

IUPAC1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(C(C)O)CC1
InChIInChI=1S/C10H17NO/c1-8-3-5-10(7-11,6-4-8)9(2)12/h8-9,12H,3-6H2,1-2H3
InChIKeyNRIJIRHKNDUGLX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.09
Rot. Bonds1

About 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile

1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 79133151) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
PubChem CID79133151
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(C(C)O)CC1
InChIInChI=1S/C10H17NO/c1-8-3-5-10(7-11,6-4-8)9(2)12/h8-9,12H,3-6H2,1-2H3
InChIKeyNRIJIRHKNDUGLX-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-oxoethyl)-4-methylcyclohexane-1-carbonitrile
CID 79127641
1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
CID 79132598
1-[hydroxy(thiolan-3-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 107133776
1-(1-hydroxy-2-phenylethyl)-4-methylcyclohexane-1-carbonitrile
CID 79131917
1-[hydroxy-(4-methoxyphenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 79129101
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
1-(1-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carbonitrile
CID 79132037
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
1-[(4-bromophenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79136299
1-[hydroxy-(5-methylfuran-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79137005
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79127804
1-[(2,3-dimethoxyphenyl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79124724

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile (CID 79133151) is 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)(C(C)O)CC1.
What is the InChIKey of 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is NRIJIRHKNDUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-3-5-10(7-11,6-4-8)9(2)12/h8-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile?
1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).