4-iminocyclohexa-1,5-dien-1-ol

C6H7NO — CID 53429664

IUPAC4-iminocyclohexa-1,5-dien-1-ol
SMILES[H]/N=C1/C=CC(O)=CC1
InChIInChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1,3-4,7-8H,2H2/b7-5-
InChIKeyNWBRJQXIBIECCR-ALCCZGGFSA-N
MW109.13 g/mol
LogP1.41
Rot. Bonds

About 4-iminocyclohexa-1,5-dien-1-ol

4-iminocyclohexa-1,5-dien-1-ol (PubChem CID 53429664) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-iminocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-iminocyclohexa-1,5-dien-1-ol
PubChem CID53429664
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-iminocyclohexa-1,5-dien-1-ol
SMILES[H]/N=C1/C=CC(O)=CC1
InChIInChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1,3-4,7-8H,2H2/b7-5-
InChIKeyNWBRJQXIBIECCR-ALCCZGGFSA-N
XLogP1.41
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iminocyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-iminocyclohexa-1,5-dien-1-ol (CID 53429664) is 4-iminocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-iminocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-iminocyclohexa-1,5-dien-1-ol is [H]/N=C1/C=CC(O)=CC1.
What is the InChIKey of 4-iminocyclohexa-1,5-dien-1-ol?
The InChIKey is NWBRJQXIBIECCR-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1,3-4,7-8H,2H2/b7-5-.
What are the key properties of 4-iminocyclohexa-1,5-dien-1-ol?
4-iminocyclohexa-1,5-dien-1-ol has a molecular weight of 109.13 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 53429664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).