4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile

C8H11NO — CID 88978787

IUPAC4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile
SMILESCC1CC(O)=CCC1C#N
InChIInChI=1S/C8H11NO/c1-6-4-8(10)3-2-7(6)5-9/h3,6-7,10H,2,4H2,1H3
InChIKeyWLTSVNIRFZWTGY-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.00
Rot. Bonds

About 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile

4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile (PubChem CID 88978787) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile
PubChem CID88978787
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile
SMILESCC1CC(O)=CCC1C#N
InChIInChI=1S/C8H11NO/c1-6-4-8(10)3-2-7(6)5-9/h3,6-7,10H,2,4H2,1H3
InChIKeyWLTSVNIRFZWTGY-UHFFFAOYSA-N
XLogP2.00
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Fluoro-2-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)acetonitrile
CID 155066336
(1r,2r,6s)-6-[(1r)-1-Hydroxyethyl]-2-methyl-cyclohex-3-ene-1-carbonitrile
CID 129744233
2-Hydroxy-2-(6-methylcyclohex-3-en-1-yl)acetonitrile
CID 20471671
2-(2-Ethylcyclohex-3-en-1-yl)-2-hydroxyacetonitrile
CID 20471675
2-Hydroxy-2-(4-methylcyclohex-3-en-1-yl)acetonitrile
CID 20471682
2-Hydroxy-2-(2-methylcyclohex-3-en-1-yl)acetonitrile
CID 20471683
Trans-2-(2-Methyl-3-cyclohexen-1-yl)-2-hydroxyacetonitrile
CID 54047757
2-hydroxy-2-[(1R,2S)-2-methylcyclohex-3-en-1-yl]acetonitrile
CID 54047758
2-[(1R,2S)-2-ethylcyclohex-3-en-1-yl]-2-hydroxyacetonitrile
CID 54384617
5,6-Dimethylcyclohexen-1-ol
CID 59271555
2-(5-Hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)propanenitrile
CID 70418805
4-Hydroxycyclohex-3-ene-1-carbonitrile
CID 88978789

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile (CID 88978787) is 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile is CC1CC(O)=CCC1C#N.
What is the InChIKey of 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile?
The InChIKey is WLTSVNIRFZWTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-8(10)3-2-7(6)5-9/h3,6-7,10H,2,4H2,1H3.
What are the key properties of 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile?
4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 88978787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).