2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole

C10H12N2 — CID 70180362

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole
SMILESC1=CC2(c3ncc[nH]3)CCC1C2
InChIInChI=1S/C10H12N2/c1-3-10(4-2-8(1)7-10)9-11-5-6-12-9/h1,3,5-6,8H,2,4,7H2,(H,11,12)
InChIKeyJVDXVTCRYDOLAA-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.02
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole

2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole (PubChem CID 70180362) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole
PubChem CID70180362
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole
SMILESC1=CC2(c3ncc[nH]3)CCC1C2
InChIInChI=1S/C10H12N2/c1-3-10(4-2-8(1)7-10)9-11-5-6-12-9/h1,3,5-6,8H,2,4,7H2,(H,11,12)
InChIKeyJVDXVTCRYDOLAA-UHFFFAOYSA-N
XLogP2.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole (CID 70180362) is 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole is C1=CC2(c3ncc[nH]3)CCC1C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole?
The InChIKey is JVDXVTCRYDOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-10(4-2-8(1)7-10)9-11-5-6-12-9/h1,3,5-6,8H,2,4,7H2,(H,11,12).
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole?
2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole has a molecular weight of 160.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole is sourced from PubChem (CID 70180362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).