(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one

C10H13NO — CID 118458013

IUPAC(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one
SMILESC=CC(=C/C(=C)C(C)=O)/N=C/C
InChIInChI=1S/C10H13NO/c1-5-10(11-6-2)7-8(3)9(4)12/h5-7H,1,3H2,2,4H3/b10-7-,11-6+
InChIKeyLWSFQGVFRQJEBD-IKVLVDHLSA-N
MW163.22 g/mol
LogP2.29
Rot. Bonds4

About (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one

(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one (PubChem CID 118458013) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one.

Molecular Properties

Compound Name(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one
PubChem CID118458013
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one
SMILESC=CC(=C/C(=C)C(C)=O)/N=C/C
InChIInChI=1S/C10H13NO/c1-5-10(11-6-2)7-8(3)9(4)12/h5-7H,1,3H2,2,4H3/b10-7-,11-6+
InChIKeyLWSFQGVFRQJEBD-IKVLVDHLSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-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

Indol-4-one
CID 22392037
Dibenzazepinone
CID 87489562
Dibenzoazepin-3-on
CID 129707857
1-Benzazepin-6-one
CID 23126631
7-[2-(Dimethylamino)ethylidene]quinolin-6-one
CID 57206703
1-(3H-azepin-7-yl)propan-1-one
CID 57237387
(7Z)-7-[2-(dimethylamino)ethylidene]quinolin-6-one
CID 70442295
1-Benzazepin-6-one;hydrochloride
CID 88142030
(Z)-3-methylidene-6-methyliminohex-4-en-2-one
CID 88267081
(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione
CID 89352538
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
(E,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-one
CID 91205916

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one?
The IUPAC name of (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one (CID 118458013) is (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one.
What is the SMILES notation for (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one?
The canonical SMILES for (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one is C=CC(=C/C(=C)C(C)=O)/N=C/C.
What is the InChIKey of (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one?
The InChIKey is LWSFQGVFRQJEBD-IKVLVDHLSA-N. The full InChI is InChI=1S/C10H13NO/c1-5-10(11-6-2)7-8(3)9(4)12/h5-7H,1,3H2,2,4H3/b10-7-,11-6+.
What are the key properties of (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one?
(4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one has a molecular weight of 163.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(ethylideneamino)-3-methylidenehepta-4,6-dien-2-one is sourced from PubChem (CID 118458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).