2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole

C11H14N2 — CID 91704253

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole
SMILESCn1ccnc1C1CC2C=CC1C2
InChIInChI=1S/C11H14N2/c1-13-5-4-12-11(13)10-7-8-2-3-9(10)6-8/h2-5,8-10H,6-7H2,1H3
InChIKeyNXJUBOZRNZFRFE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.10
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole

2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole (PubChem CID 91704253) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole
PubChem CID91704253
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole
SMILESCn1ccnc1C1CC2C=CC1C2
InChIInChI=1S/C11H14N2/c1-13-5-4-12-11(13)10-7-8-2-3-9(10)6-8/h2-5,8-10H,6-7H2,1H3
InChIKeyNXJUBOZRNZFRFE-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1H-imidazole
CID 165345939
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
N,1-dimethyl-4-(1-methylimidazol-2-yl)pyrrolidin-3-amine
CID 130909427
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
2-[4-(bromomethyl)pyrrolidin-3-yl]-1-methylimidazole
CID 130972067
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
2-cyclopentyl-1-methylimidazole
CID 83382106
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
4-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]pyridine
CID 58543813
2-(5-bromo-2-ethylcyclohexyl)-1-methylimidazole
CID 165498137
N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
CID 63977093
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377625

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole (CID 91704253) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole is Cn1ccnc1C1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole?
The InChIKey is NXJUBOZRNZFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13-5-4-12-11(13)10-7-8-2-3-9(10)6-8/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole is sourced from PubChem (CID 91704253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).