6-methyliminocyclohexa-1,3-dien-1-ol

C7H9NO — CID 70502940

IUPAC6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/N=C1\CC=CC=C1O
InChIInChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-3,5,9H,4H2,1H3/b8-6+
InChIKeyLAIAVHKLQIAYLA-SOFGYWHQSA-N
MW123.15 g/mol
LogP1.46
Rot. Bonds

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

6-methyliminocyclohexa-1,3-dien-1-ol (PubChem CID 70502940) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 6-methyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methyliminocyclohexa-1,3-dien-1-ol
PubChem CID70502940
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/N=C1\CC=CC=C1O
InChIInChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-3,5,9H,4H2,1H3/b8-6+
InChIKeyLAIAVHKLQIAYLA-SOFGYWHQSA-N
XLogP1.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol
CID 118258283
6-Iminocyclohexa-1,3-dien-1-ol
CID 19925748
6-Phosphanyliminocyclohexa-1,3-dien-1-ol
CID 68719891
6-Methyliminocyclohexa-1,3-dien-1-ol;sulfuric acid
CID 70502939
(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol
CID 90079309
(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol
CID 90079310
(3E)-5-methyliminohepta-1,3-dien-4-ol
CID 117656519
(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol
CID 118258282
(3E)-5-ethenyliminohepta-1,3-dien-4-ol
CID 135188903
2-Methylbenzimidazole-2,4-diol
CID 135829567
2-Ethylbenzimidazole-2,4-diol
CID 135829568
2,3-Dihydroquinoxalin-5-ol
CID 136441268

Frequently Asked Questions

What is the IUPAC name of 6-methyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-methyliminocyclohexa-1,3-dien-1-ol (CID 70502940) is 6-methyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methyliminocyclohexa-1,3-dien-1-ol is C/N=C1\CC=CC=C1O.
What is the InChIKey of 6-methyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is LAIAVHKLQIAYLA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-3,5,9H,4H2,1H3/b8-6+.
What are the key properties of 6-methyliminocyclohexa-1,3-dien-1-ol?
6-methyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).