(Z)-3-methyliminohept-4-en-2-one

C8H13NO — CID 143010530

IUPAC(Z)-3-methyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-6-8(9-3)7(2)10/h5-6H,4H2,1-3H3/b6-5-,9-8-
InChIKeySBILQLHQXVDNLK-AFJQJTPPSA-N
MW139.20 g/mol
LogP1.61
Rot. Bonds3

About (Z)-3-methyliminohept-4-en-2-one

(Z)-3-methyliminohept-4-en-2-one (PubChem CID 143010530) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-3-methyliminohept-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-methyliminohept-4-en-2-one
PubChem CID143010530
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-3-methyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-6-8(9-3)7(2)10/h5-6H,4H2,1-3H3/b6-5-,9-8-
InChIKeySBILQLHQXVDNLK-AFJQJTPPSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
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'}

Analyze (Z)-3-methyliminohept-4-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

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
3-Ethylimino-4-fluorohex-4-en-2-one
CID 123908334
1-(2H-pyrrol-5-yl)ethanone
CID 58270108
1-(3-methyl-2H-pyrrol-5-yl)ethanone
CID 58966269
1-(2,3-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 68049953
3-[2-(Dimethylamino)ethylimino]hex-4-en-2-one
CID 87305181
(4E,6Z)-3-iminoocta-4,6-dien-2-one
CID 89086864
(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
CID 89298368
(Z)-3-methylidene-6-methyliminohept-4-en-2-one
CID 91407273
1-(Azocin-2-yl)ethanone
CID 91417784
ethane;6-methyl-2H-pyridin-5-one
CID 91443223
N-[(E)-hept-2-en-4-ylidene]propanamide
CID 117742259

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyliminohept-4-en-2-one?
The IUPAC name of (Z)-3-methyliminohept-4-en-2-one (CID 143010530) is (Z)-3-methyliminohept-4-en-2-one.
What is the SMILES notation for (Z)-3-methyliminohept-4-en-2-one?
The canonical SMILES for (Z)-3-methyliminohept-4-en-2-one is CC/C=C\C(=N\C)C(C)=O.
What is the InChIKey of (Z)-3-methyliminohept-4-en-2-one?
The InChIKey is SBILQLHQXVDNLK-AFJQJTPPSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6-8(9-3)7(2)10/h5-6H,4H2,1-3H3/b6-5-,9-8-.
What are the key properties of (Z)-3-methyliminohept-4-en-2-one?
(Z)-3-methyliminohept-4-en-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyliminohept-4-en-2-one is sourced from PubChem (CID 143010530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).