(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one

C12H19NO — CID 129058832

IUPAC(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one
SMILESCC/N=C/C=C\CC(C)/C=C\C(C)=O
InChIInChI=1S/C12H19NO/c1-4-13-10-6-5-7-11(2)8-9-12(3)14/h5-6,8-11H,4,7H2,1-3H3/b6-5-,9-8-,13-10+
InChIKeyIIJFKPSOSBHRAH-XEECKENASA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds6

About (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one

(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one (PubChem CID 129058832) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one.

Molecular Properties

Compound Name(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one
PubChem CID129058832
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one
SMILESCC/N=C/C=C\CC(C)/C=C\C(C)=O
InChIInChI=1S/C12H19NO/c1-4-13-10-6-5-7-11(2)8-9-12(3)14/h5-6,8-11H,4,7H2,1-3H3/b6-5-,9-8-,13-10+
InChIKeyIIJFKPSOSBHRAH-XEECKENASA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one?
The IUPAC name of (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one (CID 129058832) is (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one.
What is the SMILES notation for (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one?
The canonical SMILES for (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one is CC/N=C/C=C\CC(C)/C=C\C(C)=O.
What is the InChIKey of (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one?
The InChIKey is IIJFKPSOSBHRAH-XEECKENASA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13-10-6-5-7-11(2)8-9-12(3)14/h5-6,8-11H,4,7H2,1-3H3/b6-5-,9-8-,13-10+.
What are the key properties of (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one?
(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one is sourced from PubChem (CID 129058832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).