(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one

C13H17NO — CID 123368774

IUPAC(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
SMILES[H]/N=C(C)/C=C(\C)C(=C)C(=O)C(=C)C=CC
InChIInChI=1S/C13H17NO/c1-6-7-9(2)13(15)12(5)10(3)8-11(4)14/h6-8,14H,2,5H2,1,3-4H3/b7-6?,10-8+,14-11+
InChIKeyBXKMQJFCXSNQGL-LZKAPRTRSA-N
MW203.28 g/mol
LogP3.23
Rot. Bonds5

About (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one

(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one (PubChem CID 123368774) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one.

Molecular Properties

Compound Name(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
PubChem CID123368774
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
SMILES[H]/N=C(C)/C=C(\C)C(=C)C(=O)C(=C)C=CC
InChIInChI=1S/C13H17NO/c1-6-7-9(2)13(15)12(5)10(3)8-11(4)14/h6-8,14H,2,5H2,1,3-4H3/b7-6?,10-8+,14-11+
InChIKeyBXKMQJFCXSNQGL-LZKAPRTRSA-N
XLogP3.23
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.23
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

(E)-6-fluoro-4-imino-3-methylideneoct-5-en-2-one
CID 123392429
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(3E,5E)-3-ethanimidoyl-5-fluorohepta-3,5-dien-2-one
CID 168203342
2,3-Diethyl-4-iminocyclohexa-2,5-dien-1-one
CID 54009764
2,4-Ditert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 85557317
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
(5Z)-5-ethanimidoyl-2-methylhepta-2,5-dien-4-one
CID 123220309
3-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
1-(4-Imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 123555746
1-(4-Ethanimidoylcyclohepta-1,2,4,6-tetraen-1-yl)-2-iminopropan-1-one
CID 123613023
(5E,7E)-9-imino-6,7-dimethyldeca-5,7-dien-4-one
CID 123675201

Frequently Asked Questions

What is the IUPAC name of (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one?
The IUPAC name of (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one (CID 123368774) is (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one.
What is the SMILES notation for (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one?
The canonical SMILES for (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one is [H]/N=C(C)/C=C(\C)C(=C)C(=O)C(=C)C=CC.
What is the InChIKey of (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one?
The InChIKey is BXKMQJFCXSNQGL-LZKAPRTRSA-N. The full InChI is InChI=1S/C13H17NO/c1-6-7-9(2)13(15)12(5)10(3)8-11(4)14/h6-8,14H,2,5H2,1,3-4H3/b7-6?,10-8+,14-11+.
What are the key properties of (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one?
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one has a molecular weight of 203.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one is sourced from PubChem (CID 123368774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).