(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one

C17H22N2O — CID 89217183

IUPAC(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one
SMILESC=C/C=C(\C=C/C=C(C)C)CCC(=O)Cn1ccnc1
InChIInChI=1S/C17H22N2O/c1-4-6-16(8-5-7-15(2)3)9-10-17(20)13-19-12-11-18-14-19/h4-8,11-12,14H,1,9-10,13H2,2-3H3/b8-5-,16-6+
InChIKeyCORMDFCVLLPAGI-BDXRTRMVSA-N
MW270.38 g/mol
LogP3.87
Rot. Bonds8

About (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one

(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one (PubChem CID 89217183) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one.

Molecular Properties

Compound Name(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one
PubChem CID89217183
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one
SMILESC=C/C=C(\C=C/C=C(C)C)CCC(=O)Cn1ccnc1
InChIInChI=1S/C17H22N2O/c1-4-6-16(8-5-7-15(2)3)9-10-17(20)13-19-12-11-18-14-19/h4-8,11-12,14H,1,9-10,13H2,2-3H3/b8-5-,16-6+
InChIKeyCORMDFCVLLPAGI-BDXRTRMVSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one with MolForge

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Related Compounds

3-(1H-imidazol-1-yl)-2-methylcyclopent-2-enone
CID 24746762
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CID 14062681
1-(1-methyl-1H-imidazol-2-yl)heptadec-8-en-1-one
CID 44589264
(4S)-6-methyl-4-(1-methylimidazol-2-yl)hept-5-en-2-one
CID 102311261
3-[(2z)-2-t-Butyl-5,5-dimethyl-4-oxohex-2-en-1-yl]-1-methyl-1h-imidazol-3-ium bromide
CID 129877856
1-Imidazol-1-yl-6-methylhept-5-en-1-one
CID 164676310
(3R)-2-cyclohepta-2,4,6-trien-1-yl-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
CID 177698876
(3R)-2-cyclohepta-2,4,6-trien-1-yl-3-cyclohexyl-1-(1-methylimidazol-2-yl)butan-1-one
CID 177698879
(3R)-1-(1-butylimidazol-2-yl)-2-cyclohepta-2,4,6-trien-1-yl-3-methyldecan-1-one
CID 177698881
(3R)-2-cyclohepta-2,4,6-trien-1-yl-3-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
CID 177698886
2-(Imidazol-1-ylmethyl)cyclohex-2-en-1-one
CID 178271178
(3S,5R,7S)-3,5,7,11-tetramethyl-1-(1-methylimidazol-2-yl)dodec-10-en-1-one
CID 178336487

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one?
The IUPAC name of (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one (CID 89217183) is (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one.
What is the SMILES notation for (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one?
The canonical SMILES for (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one is C=C/C=C(\C=C/C=C(C)C)CCC(=O)Cn1ccnc1.
What is the InChIKey of (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one?
The InChIKey is CORMDFCVLLPAGI-BDXRTRMVSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-6-16(8-5-7-15(2)3)9-10-17(20)13-19-12-11-18-14-19/h4-8,11-12,14H,1,9-10,13H2,2-3H3/b8-5-,16-6+.
What are the key properties of (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one?
(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one is sourced from PubChem (CID 89217183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).