6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile

C8H9NO — CID 135215340

IUPAC6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESCC1C=C(C#N)C(O)=CC1
InChIInChI=1S/C8H9NO/c1-6-2-3-8(10)7(4-6)5-9/h3-4,6,10H,2H2,1H3
InChIKeyIOHJWARIKJWKQX-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.92
Rot. Bonds

About 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile

6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile (PubChem CID 135215340) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
PubChem CID135215340
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESCC1C=C(C#N)C(O)=CC1
InChIInChI=1S/C8H9NO/c1-6-2-3-8(10)7(4-6)5-9/h3-4,6,10H,2H2,1H3
InChIKeyIOHJWARIKJWKQX-UHFFFAOYSA-N
XLogP1.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile (CID 135215340) is 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile is CC1C=C(C#N)C(O)=CC1.
What is the InChIKey of 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is IOHJWARIKJWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-2-3-8(10)7(4-6)5-9/h3-4,6,10H,2H2,1H3.
What are the key properties of 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile?
6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 135215340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).