2-imino-4-methylcyclohex-3-en-1-one

C7H9NO — CID 123583551

IUPAC2-imino-4-methylcyclohex-3-en-1-one
SMILES[H]/N=C1\C=C(C)CCC1=O
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h4,8H,2-3H2,1H3/b8-6+
InChIKeyHPIGJTVXUHVVCG-SOFGYWHQSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds

About 2-imino-4-methylcyclohex-3-en-1-one

2-imino-4-methylcyclohex-3-en-1-one (PubChem CID 123583551) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-imino-4-methylcyclohex-3-en-1-one.

Molecular Properties

Compound Name2-imino-4-methylcyclohex-3-en-1-one
PubChem CID123583551
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-imino-4-methylcyclohex-3-en-1-one
SMILES[H]/N=C1\C=C(C)CCC1=O
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h4,8H,2-3H2,1H3/b8-6+
InChIKeyHPIGJTVXUHVVCG-SOFGYWHQSA-N
XLogP1.32
TPSA40.92 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Diethylquinoneimine
CID 150565
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
5-Imino-2-methylcyclohex-2-ene-1,4-dione
CID 56613538
4,5-Diimino-3-methylcyclohex-2-en-1-one
CID 56990817
6-Imino-2-methylcyclohex-2-ene-1,4-dione
CID 57192632
4,6-Diimino-3-methylcyclohex-2-en-1-one
CID 57285675
2-Diazo-4-ethylcyclohex-3-en-1-one
CID 58241638
2-Iminocyclohex-3-en-1-one
CID 68978964
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
3-Ethanimidoyl-4-ethenylcyclohex-3-en-1-one
CID 88940884
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methylcyclohex-3-en-1-one?
The IUPAC name of 2-imino-4-methylcyclohex-3-en-1-one (CID 123583551) is 2-imino-4-methylcyclohex-3-en-1-one.
What is the SMILES notation for 2-imino-4-methylcyclohex-3-en-1-one?
The canonical SMILES for 2-imino-4-methylcyclohex-3-en-1-one is [H]/N=C1\C=C(C)CCC1=O.
What is the InChIKey of 2-imino-4-methylcyclohex-3-en-1-one?
The InChIKey is HPIGJTVXUHVVCG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h4,8H,2-3H2,1H3/b8-6+.
What are the key properties of 2-imino-4-methylcyclohex-3-en-1-one?
2-imino-4-methylcyclohex-3-en-1-one has a molecular weight of 123.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methylcyclohex-3-en-1-one is sourced from PubChem (CID 123583551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).