2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole

C12H20N2 — CID 129238804

IUPAC2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole
SMILESCCCC/C=C\C=C1N(C)C=CN1C
InChIInChI=1S/C12H20N2/c1-4-5-6-7-8-9-12-13(2)10-11-14(12)3/h7-11H,4-6H2,1-3H3/b8-7-
InChIKeyIZYVOSFTSFXTQZ-FPLPWBNLSA-N
MW192.31 g/mol
LogP2.92
Rot. Bonds4

About 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole

2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole (PubChem CID 129238804) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole.

Molecular Properties

Compound Name2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole
PubChem CID129238804
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole
SMILESCCCC/C=C\C=C1N(C)C=CN1C
InChIInChI=1S/C12H20N2/c1-4-5-6-7-8-9-12-13(2)10-11-14(12)3/h7-11H,4-6H2,1-3H3/b8-7-
InChIKeyIZYVOSFTSFXTQZ-FPLPWBNLSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole?
The IUPAC name of 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole (CID 129238804) is 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole.
What is the SMILES notation for 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole?
The canonical SMILES for 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole is CCCC/C=C\C=C1N(C)C=CN1C.
What is the InChIKey of 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole?
The InChIKey is IZYVOSFTSFXTQZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-6-7-8-9-12-13(2)10-11-14(12)3/h7-11H,4-6H2,1-3H3/b8-7-.
What are the key properties of 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole?
2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole has a molecular weight of 192.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hept-2-enylidene]-1,3-dimethylimidazole is sourced from PubChem (CID 129238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).