3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile

C9H13NO — CID 16742483

IUPAC3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile
SMILESCC1=C(C#N)CCCC1(C)O
InChIInChI=1S/C9H13NO/c1-7-8(6-10)4-3-5-9(7,2)11/h11H,3-5H2,1-2H3
InChIKeyZWPWEZFBYJEKGN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.76
Rot. Bonds

About 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile

3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile (PubChem CID 16742483) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile
PubChem CID16742483
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile
SMILESCC1=C(C#N)CCCC1(C)O
InChIInChI=1S/C9H13NO/c1-7-8(6-10)4-3-5-9(7,2)11/h11H,3-5H2,1-2H3
InChIKeyZWPWEZFBYJEKGN-UHFFFAOYSA-N
XLogP1.76
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]acetonitrile
CID 135078623
(Z)-2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)but-2-enenitrile
CID 11830571
(Z)-2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)pent-2-enenitrile
CID 12015124
(Z)-2-(1-hydroxycyclohexyl)but-2-enedinitrile
CID 101397634
3-Hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carbonitrile
CID 11137487
2-[1-(1-Hydroxycyclohexyl)ethylidene]propanedinitrile
CID 88127590
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)acetonitrile
CID 124113457
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)prop-2-enenitrile
CID 145194841
3-hydroxy-2,6,6-trimethyl(313C)cyclohexene-1-carbonitrile
CID 10773380
2-(3-Hydroxy-3,5,5-trimethylcyclohexen-1-yl)-2-methylpropanenitrile
CID 10921695
3-Hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile
CID 11030176
2-(3-Hydroxy-3,5,5-trimethylcyclohexen-1-yl)acetonitrile
CID 11137706

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile?
The IUPAC name of 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile (CID 16742483) is 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile?
The canonical SMILES for 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile is CC1=C(C#N)CCCC1(C)O.
What is the InChIKey of 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile?
The InChIKey is ZWPWEZFBYJEKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-8(6-10)4-3-5-9(7,2)11/h11H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile?
3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,3-dimethylcyclohexene-1-carbonitrile is sourced from PubChem (CID 16742483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).