6-imino-4-methylcyclohexa-1,3-dien-1-ol

C7H9NO — CID 150933640

IUPAC6-imino-4-methylcyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1\CC(C)=CC=C1O
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-3,8-9H,4H2,1H3/b8-6+
InChIKeyLGOBUPKENAYQLU-SOFGYWHQSA-N
MW123.15 g/mol
LogP1.80
Rot. Bonds

About 6-imino-4-methylcyclohexa-1,3-dien-1-ol

6-imino-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 150933640) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 6-imino-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-imino-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID150933640
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name6-imino-4-methylcyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1\CC(C)=CC=C1O
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-3,8-9H,4H2,1H3/b8-6+
InChIKeyLGOBUPKENAYQLU-SOFGYWHQSA-N
XLogP1.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.80
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 6-imino-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-imino-4-methylcyclohexa-1,3-dien-1-ol (CID 150933640) is 6-imino-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-imino-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-imino-4-methylcyclohexa-1,3-dien-1-ol is [H]/N=C1\CC(C)=CC=C1O.
What is the InChIKey of 6-imino-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is LGOBUPKENAYQLU-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-3,8-9H,4H2,1H3/b8-6+.
What are the key properties of 6-imino-4-methylcyclohexa-1,3-dien-1-ol?
6-imino-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 150933640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).