(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one

C12H19NO — CID 123675201

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

About (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one

(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one (PubChem CID 123675201) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one.

Molecular Properties

Compound Name(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one
PubChem CID123675201
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one
SMILES[H]/N=C(C)/C=C(C)/C(C)=C/C(=O)CCC
InChIInChI=1S/C12H19NO/c1-5-6-12(14)8-10(3)9(2)7-11(4)13/h7-8,13H,5-6H2,1-4H3/b9-7+,10-8+,13-11+
InChIKeyQVOLLCJMDMXAFA-CWCVLZLJSA-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_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(3E,5E)-3-ethanimidoyl-5-fluorohepta-3,5-dien-2-one
CID 168203342
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium
CID 59189396
2,4-Ditert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 85557317
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
(5Z)-3-iminonona-5,7,8-trien-4-one
CID 91220623
(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)azanium
CID 91233341
(5Z)-5-ethanimidoyl-2-methylhepta-2,5-dien-4-one
CID 123220309
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
(E)-5-imino-3,6-dimethyloct-3-en-2-one
CID 123527531

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one?
The IUPAC name of (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one (CID 123675201) is (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one.
What is the SMILES notation for (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one?
The canonical SMILES for (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one is [H]/N=C(C)/C=C(C)/C(C)=C/C(=O)CCC.
What is the InChIKey of (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one?
The InChIKey is QVOLLCJMDMXAFA-CWCVLZLJSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-6-12(14)8-10(3)9(2)7-11(4)13/h7-8,13H,5-6H2,1-4H3/b9-7+,10-8+,13-11+.
What are the key properties of (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one?
(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-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 (5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one is sourced from PubChem (CID 123675201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).