6-hydroxycyclohexa-2,4-diene-1-carbonitrile

C7H7NO — CID 66633778

IUPAC6-hydroxycyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1O
InChIInChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h1-4,6-7,9H
InChIKeyOCDMNWAYNABDQA-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.61
Rot. Bonds

About 6-hydroxycyclohexa-2,4-diene-1-carbonitrile

6-hydroxycyclohexa-2,4-diene-1-carbonitrile (PubChem CID 66633778) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 6-hydroxycyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-hydroxycyclohexa-2,4-diene-1-carbonitrile
PubChem CID66633778
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name6-hydroxycyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1O
InChIInChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h1-4,6-7,9H
InChIKeyOCDMNWAYNABDQA-UHFFFAOYSA-N
XLogP0.61
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxycyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-hydroxycyclohexa-2,4-diene-1-carbonitrile (CID 66633778) is 6-hydroxycyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-hydroxycyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-hydroxycyclohexa-2,4-diene-1-carbonitrile is N#CC1C=CC=CC1O.
What is the InChIKey of 6-hydroxycyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is OCDMNWAYNABDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c8-5-6-3-1-2-4-7(6)9/h1-4,6-7,9H.
What are the key properties of 6-hydroxycyclohexa-2,4-diene-1-carbonitrile?
6-hydroxycyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxycyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 66633778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).