(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one

C11H17NO — CID 143098787

IUPAC(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one
SMILESC=C(C)/C(=C/C(C)=N/C)C(=O)CC
InChIInChI=1S/C11H17NO/c1-6-11(13)10(8(2)3)7-9(4)12-5/h7H,2,6H2,1,3-5H3/b10-7-,12-9+
InChIKeyDIQHFFKQDALSLL-PWZCAXEFSA-N
MW179.26 g/mol
LogP2.56
Rot. Bonds4

About (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one

(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one (PubChem CID 143098787) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one
PubChem CID143098787
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one
SMILESC=C(C)/C(=C/C(C)=N/C)C(=O)CC
InChIInChI=1S/C11H17NO/c1-6-11(13)10(8(2)3)7-9(4)12-5/h7H,2,6H2,1,3-5H3/b10-7-,12-9+
InChIKeyDIQHFFKQDALSLL-PWZCAXEFSA-N
XLogP2.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.56
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 (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-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

(E)-8,8,8-trifluoro-5-methyl-7-methyliminooct-5-en-4-one
CID 155718417
(5Z,7E,8E)-7-ethylidene-11,11,11-trifluoro-8-methyl-10-methyliminoundeca-5,8-dien-4-one
CID 178058535
2,3,4,5-Tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
CID 22979278
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
2,6-Dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
CID 58194049
3-Methyl-5-methyliminohex-3-en-2-one
CID 59498255
(3E,5Z)-3-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]hepta-3,5-dien-2-one
CID 88904062
(Z)-3-methylidene-6-methyliminohept-4-en-2-one
CID 91407273
(Z)-5-ethylimino-3-methylhept-2-en-4-one
CID 91558890
(Z)-3-methyl-5-methyliminohept-2-en-4-one
CID 91610518
5-Ethylimino-7-methyl-3-methyliminooct-6-en-4-one
CID 123159502
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one?
The IUPAC name of (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one (CID 143098787) is (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one.
What is the SMILES notation for (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one?
The canonical SMILES for (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one is C=C(C)/C(=C/C(C)=N/C)C(=O)CC.
What is the InChIKey of (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one?
The InChIKey is DIQHFFKQDALSLL-PWZCAXEFSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-11(13)10(8(2)3)7-9(4)12-5/h7H,2,6H2,1,3-5H3/b10-7-,12-9+.
What are the key properties of (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one?
(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one has a molecular weight of 179.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one is sourced from PubChem (CID 143098787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).