(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one

C14H18N2O — CID 89217195

IUPAC(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one
SMILESC=C(/C=C\C=C/C)CCC(=O)Cn1ccnc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-6-13(2)7-8-14(17)11-16-10-9-15-12-16/h3-6,9-10,12H,2,7-8,11H2,1H3/b4-3-,6-5-
InChIKeyAPBNHMPVQDBHOH-OUPQRBNQSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds7

About (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one

(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one (PubChem CID 89217195) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one.

Molecular Properties

Compound Name(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one
PubChem CID89217195
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one
SMILESC=C(/C=C\C=C/C)CCC(=O)Cn1ccnc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-6-13(2)7-8-14(17)11-16-10-9-15-12-16/h3-6,9-10,12H,2,7-8,11H2,1H3/b4-3-,6-5-
InChIKeyAPBNHMPVQDBHOH-OUPQRBNQSA-N
XLogP2.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
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 (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one?
The IUPAC name of (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one (CID 89217195) is (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one.
What is the SMILES notation for (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one?
The canonical SMILES for (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one is C=C(/C=C\C=C/C)CCC(=O)Cn1ccnc1.
What is the InChIKey of (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one?
The InChIKey is APBNHMPVQDBHOH-OUPQRBNQSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-5-6-13(2)7-8-14(17)11-16-10-9-15-12-16/h3-6,9-10,12H,2,7-8,11H2,1H3/b4-3-,6-5-.
What are the key properties of (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one?
(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one is sourced from PubChem (CID 89217195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).