(5Z)-3-iminonona-5,7,8-trien-4-one

C9H11NO — CID 91220623

IUPAC(5Z)-3-iminonona-5,7,8-trien-4-one
SMILES[H]/N=C(\CC)C(=O)/C=C\C=C=C
InChIInChI=1S/C9H11NO/c1-3-5-6-7-9(11)8(10)4-2/h5-7,10H,1,4H2,2H3/b7-6-,10-8+
InChIKeyOUKDQULXJXSFCZ-VAAURPRASA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds4

About (5Z)-3-iminonona-5,7,8-trien-4-one

(5Z)-3-iminonona-5,7,8-trien-4-one (PubChem CID 91220623) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (5Z)-3-iminonona-5,7,8-trien-4-one.

Molecular Properties

Compound Name(5Z)-3-iminonona-5,7,8-trien-4-one
PubChem CID91220623
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(5Z)-3-iminonona-5,7,8-trien-4-one
SMILES[H]/N=C(\CC)C(=O)/C=C\C=C=C
InChIInChI=1S/C9H11NO/c1-3-5-6-7-9(11)8(10)4-2/h5-7,10H,1,4H2,2H3/b7-6-,10-8+
InChIKeyOUKDQULXJXSFCZ-VAAURPRASA-N
XLogP1.88
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Iminocyclohexa-2,4-dien-1-one
CID 15903259
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one
CID 155718511
(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
(4E,6Z)-3-iminoocta-4,6-dien-2-one
CID 89086864
1-(5-Imino-3-methylcyclohepta-1,6-dien-1-yl)ethanone
CID 90855946
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
(5Z)-5-ethanimidoyl-2-methylhepta-2,5-dien-4-one
CID 123220309
3-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
(E)-5-iminohept-2-en-4-one
CID 123461614

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-iminonona-5,7,8-trien-4-one?
The IUPAC name of (5Z)-3-iminonona-5,7,8-trien-4-one (CID 91220623) is (5Z)-3-iminonona-5,7,8-trien-4-one.
What is the SMILES notation for (5Z)-3-iminonona-5,7,8-trien-4-one?
The canonical SMILES for (5Z)-3-iminonona-5,7,8-trien-4-one is [H]/N=C(\CC)C(=O)/C=C\C=C=C.
What is the InChIKey of (5Z)-3-iminonona-5,7,8-trien-4-one?
The InChIKey is OUKDQULXJXSFCZ-VAAURPRASA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-6-7-9(11)8(10)4-2/h5-7,10H,1,4H2,2H3/b7-6-,10-8+.
What are the key properties of (5Z)-3-iminonona-5,7,8-trien-4-one?
(5Z)-3-iminonona-5,7,8-trien-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-iminonona-5,7,8-trien-4-one is sourced from PubChem (CID 91220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).