(Z)-5-imino-3,4-dimethylpent-3-en-2-one

C7H11NO — CID 145478376

IUPAC(Z)-5-imino-3,4-dimethylpent-3-en-2-one
SMILES[H]/N=C/C(C)=C(/C)C(C)=O
InChIInChI=1S/C7H11NO/c1-5(4-8)6(2)7(3)9/h4,8H,1-3H3/b6-5-,8-4+
InChIKeyAMLJWGWIGBKSHR-QNMAEOQASA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds2

About (Z)-5-imino-3,4-dimethylpent-3-en-2-one

(Z)-5-imino-3,4-dimethylpent-3-en-2-one (PubChem CID 145478376) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-5-imino-3,4-dimethylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-imino-3,4-dimethylpent-3-en-2-one
PubChem CID145478376
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-5-imino-3,4-dimethylpent-3-en-2-one
SMILES[H]/N=C/C(C)=C(/C)C(C)=O
InChIInChI=1S/C7H11NO/c1-5(4-8)6(2)7(3)9/h4,8H,1-3H3/b6-5-,8-4+
InChIKeyAMLJWGWIGBKSHR-QNMAEOQASA-N
XLogP1.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5-imino-3,4-dimethylpent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
CID 142449520
(3E)-3,4-dimethylhexa-3,5-dien-2-one
CID 45085191
copper;2-iminoacetate;zirconium;acetate
CID 175014404
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
2-iminoacetic acid;methane
CID 174572824
2-iminoacetic acid;hydrobromide
CID 175483406
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
(E)-5-imino-3-methylpent-3-en-2-one
CID 90907601
(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
CID 155582695
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
CID 138494852

Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-3,4-dimethylpent-3-en-2-one?
The IUPAC name of (Z)-5-imino-3,4-dimethylpent-3-en-2-one (CID 145478376) is (Z)-5-imino-3,4-dimethylpent-3-en-2-one.
What is the SMILES notation for (Z)-5-imino-3,4-dimethylpent-3-en-2-one?
The canonical SMILES for (Z)-5-imino-3,4-dimethylpent-3-en-2-one is [H]/N=C/C(C)=C(/C)C(C)=O.
What is the InChIKey of (Z)-5-imino-3,4-dimethylpent-3-en-2-one?
The InChIKey is AMLJWGWIGBKSHR-QNMAEOQASA-N. The full InChI is InChI=1S/C7H11NO/c1-5(4-8)6(2)7(3)9/h4,8H,1-3H3/b6-5-,8-4+.
What are the key properties of (Z)-5-imino-3,4-dimethylpent-3-en-2-one?
(Z)-5-imino-3,4-dimethylpent-3-en-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-3,4-dimethylpent-3-en-2-one is sourced from PubChem (CID 145478376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).