(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'}

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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).