6-iminocyclohexa-1,4-dien-1-ol

C6H7NO — CID 159333352

IUPAC6-iminocyclohexa-1,4-dien-1-ol
SMILES[H]/N=C1\C=CCC=C1O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2H2/b7-5+
InChIKeyZZJMEGIRGZSVEB-FNORWQNLSA-N
MW109.13 g/mol
LogP1.41
Rot. Bonds

About 6-iminocyclohexa-1,4-dien-1-ol

6-iminocyclohexa-1,4-dien-1-ol (PubChem CID 159333352) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-iminocyclohexa-1,4-dien-1-ol.

Molecular Properties

Compound Name6-iminocyclohexa-1,4-dien-1-ol
PubChem CID159333352
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name6-iminocyclohexa-1,4-dien-1-ol
SMILES[H]/N=C1\C=CCC=C1O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2H2/b7-5+
InChIKeyZZJMEGIRGZSVEB-FNORWQNLSA-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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Related Compounds

6-Iminocyclohexa-1,3-dien-1-ol
CID 19925748
3-Iminopenta-1,4-dien-2-ol
CID 173271754
(3E)-2-iminohexa-3,5-dien-3-ol
CID 143063135
(E)-4-iminopent-2-en-3-ol
CID 165128745

Frequently Asked Questions

What is the IUPAC name of 6-iminocyclohexa-1,4-dien-1-ol?
The IUPAC name of 6-iminocyclohexa-1,4-dien-1-ol (CID 159333352) is 6-iminocyclohexa-1,4-dien-1-ol.
What is the SMILES notation for 6-iminocyclohexa-1,4-dien-1-ol?
The canonical SMILES for 6-iminocyclohexa-1,4-dien-1-ol is [H]/N=C1\C=CCC=C1O.
What is the InChIKey of 6-iminocyclohexa-1,4-dien-1-ol?
The InChIKey is ZZJMEGIRGZSVEB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2H2/b7-5+.
What are the key properties of 6-iminocyclohexa-1,4-dien-1-ol?
6-iminocyclohexa-1,4-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 6-iminocyclohexa-1,4-dien-1-ol is sourced from PubChem (CID 159333352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).