(Z)-3-imino-5-methylideneoct-6-en-2-one

C9H13NO — CID 145093203

IUPAC(Z)-3-imino-5-methylideneoct-6-en-2-one
SMILES[H]/N=C(/CC(=C)/C=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-7(2)6-9(10)8(3)11/h4-5,10H,2,6H2,1,3H3/b5-4-,10-9-
InChIKeyKQOHEPOFNQQIAD-ACHWKMRWSA-N
MW151.21 g/mol
LogP2.12
Rot. Bonds4

About (Z)-3-imino-5-methylideneoct-6-en-2-one

(Z)-3-imino-5-methylideneoct-6-en-2-one (PubChem CID 145093203) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-3-imino-5-methylideneoct-6-en-2-one.

Molecular Properties

Compound Name(Z)-3-imino-5-methylideneoct-6-en-2-one
PubChem CID145093203
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(Z)-3-imino-5-methylideneoct-6-en-2-one
SMILES[H]/N=C(/CC(=C)/C=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-7(2)6-9(10)8(3)11/h4-5,10H,2,6H2,1,3H3/b5-4-,10-9-
InChIKeyKQOHEPOFNQQIAD-ACHWKMRWSA-N
XLogP2.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.12
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

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CID 90755764
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
3-Ethanimidoyl-4-ethenylcyclohex-3-en-1-one
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(Z)-3-iminodec-7-en-2-one
CID 88953848
(4E,6Z)-3-iminoocta-4,6-dien-2-one
CID 89086864
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-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
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CID 123378574

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-5-methylideneoct-6-en-2-one?
The IUPAC name of (Z)-3-imino-5-methylideneoct-6-en-2-one (CID 145093203) is (Z)-3-imino-5-methylideneoct-6-en-2-one.
What is the SMILES notation for (Z)-3-imino-5-methylideneoct-6-en-2-one?
The canonical SMILES for (Z)-3-imino-5-methylideneoct-6-en-2-one is [H]/N=C(/CC(=C)/C=C\C)C(C)=O.
What is the InChIKey of (Z)-3-imino-5-methylideneoct-6-en-2-one?
The InChIKey is KQOHEPOFNQQIAD-ACHWKMRWSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-7(2)6-9(10)8(3)11/h4-5,10H,2,6H2,1,3H3/b5-4-,10-9-.
What are the key properties of (Z)-3-imino-5-methylideneoct-6-en-2-one?
(Z)-3-imino-5-methylideneoct-6-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-5-methylideneoct-6-en-2-one is sourced from PubChem (CID 145093203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).