(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one

C12H19NO — CID 167485886

IUPAC(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one
SMILES[H]/N=C(C(=O)CC)/C(C)=C\C(C)=C\CC
InChIInChI=1S/C12H19NO/c1-5-7-9(3)8-10(4)12(13)11(14)6-2/h7-8,13H,5-6H2,1-4H3/b9-7+,10-8-,13-12-
InChIKeyTVYXKXCPSFGPAU-JZOZHUIVSA-N
MW193.29 g/mol
LogP3.29
Rot. Bonds5

About (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one

(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one (PubChem CID 167485886) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one.

Molecular Properties

Compound Name(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one
PubChem CID167485886
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one
SMILES[H]/N=C(C(=O)CC)/C(C)=C\C(C)=C\CC
InChIInChI=1S/C12H19NO/c1-5-7-9(3)8-10(4)12(13)11(14)6-2/h7-8,13H,5-6H2,1-4H3/b9-7+,10-8-,13-12-
InChIKeyTVYXKXCPSFGPAU-JZOZHUIVSA-N
XLogP3.29
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.29
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Imino-1-(3,6,8-trifluorocycloocta-1,5,7-trien-1-yl)propan-2-one
CID 163891911
3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 15291331
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
6-Imino-2,3,4,5-tetramethylcyclohexa-2,4-dien-1-one
CID 139249931
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
3-Ethanimidoyl-4-ethenylcyclohex-3-en-1-one
CID 88940884
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
1-(4-Imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 123555746
CID 123669692
CID 123669692
(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one
CID 123675201
1-(5-Ethanimidoylcyclohexa-1,5-dien-1-yl)ethanone
CID 129215798

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one?
The IUPAC name of (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one (CID 167485886) is (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one.
What is the SMILES notation for (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one?
The canonical SMILES for (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one is [H]/N=C(C(=O)CC)/C(C)=C\C(C)=C\CC.
What is the InChIKey of (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one?
The InChIKey is TVYXKXCPSFGPAU-JZOZHUIVSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-9(3)8-10(4)12(13)11(14)6-2/h7-8,13H,5-6H2,1-4H3/b9-7+,10-8-,13-12-.
What are the key properties of (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one?
(5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one has a molecular weight of 193.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-4-imino-5,7-dimethyldeca-5,7-dien-3-one is sourced from PubChem (CID 167485886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).