6-iminocyclohexa-1,3-dien-1-ol

C6H7NO — CID 19925748

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

About 6-iminocyclohexa-1,3-dien-1-ol

6-iminocyclohexa-1,3-dien-1-ol (PubChem CID 19925748) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-iminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-iminocyclohexa-1,3-dien-1-ol
PubChem CID19925748
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name6-iminocyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1\CC=CC=C1O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-2,4,7-8H,3H2/b7-5+
InChIKeyYQYKWOVQUZZHEA-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-Diazocyclohexa-1,3-dien-1-ol
CID 20336203
4-Iminocyclohexa-1,5-dien-1-ol
CID 53429664
6-Phosphanyliminocyclohexa-1,3-dien-1-ol
CID 68719891
6-Iminocyclohexa-1,3-dien-1-ol;zirconium
CID 87078296
Bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium
CID 87194909
6-Hydroxyiminocyclohexa-1,3-dien-1-ol
CID 87408382
6-Hydrazinylidenecyclohexa-1,3-dien-1-ol
CID 89870111
5-Diazocyclohexa-1,3-dien-1-ol
CID 129755013
5-Chloro-6-iminocyclohexa-1,3-dien-1-ol
CID 141413427
(5Z)-6-imino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol
CID 143375632
6-Imino-4-methylcyclohexa-1,3-dien-1-ol
CID 150933640
6-Iminocyclohexa-1,4-dien-1-ol
CID 159333352

Frequently Asked Questions

What is the IUPAC name of 6-iminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-iminocyclohexa-1,3-dien-1-ol (CID 19925748) is 6-iminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-iminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-iminocyclohexa-1,3-dien-1-ol is [H]/N=C1\CC=CC=C1O.
What is the InChIKey of 6-iminocyclohexa-1,3-dien-1-ol?
The InChIKey is YQYKWOVQUZZHEA-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-2,4,7-8H,3H2/b7-5+.
What are the key properties of 6-iminocyclohexa-1,3-dien-1-ol?
6-iminocyclohexa-1,3-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-1,3-dien-1-ol is sourced from PubChem (CID 19925748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).