2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole

C9H10N2 — CID 122697921

IUPAC2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole
SMILESC=C/C=C(/C)C=C1N=CC=N1
InChIInChI=1S/C9H10N2/c1-3-4-8(2)7-9-10-5-6-11-9/h3-7H,1H2,2H3/b8-4-
InChIKeyFEGDVIPOAFJXLB-YWEYNIOJSA-N
MW146.19 g/mol
LogP2.12
Rot. Bonds2

About 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole

2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole (PubChem CID 122697921) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole.

Molecular Properties

Compound Name2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole
PubChem CID122697921
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole
SMILESC=C/C=C(/C)C=C1N=CC=N1
InChIInChI=1S/C9H10N2/c1-3-4-8(2)7-9-10-5-6-11-9/h3-7H,1H2,2H3/b8-4-
InChIKeyFEGDVIPOAFJXLB-YWEYNIOJSA-N
XLogP2.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole?
The IUPAC name of 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole (CID 122697921) is 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole.
What is the SMILES notation for 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole?
The canonical SMILES for 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole is C=C/C=C(/C)C=C1N=CC=N1.
What is the InChIKey of 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole?
The InChIKey is FEGDVIPOAFJXLB-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-4-8(2)7-9-10-5-6-11-9/h3-7H,1H2,2H3/b8-4-.
What are the key properties of 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole?
2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole has a molecular weight of 146.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole is sourced from PubChem (CID 122697921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).