1-methyl-3-prop-2-enyl-2H-imidazole

C7H12N2 — CID 19927377

IUPAC1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1
InChIInChI=1S/C7H12N2/c1-3-4-9-6-5-8(2)7-9/h3,5-6H,1,4,7H2,2H3
InChIKeyPBIDWHVVZCGMAR-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.85
Rot. Bonds2

About 1-methyl-3-prop-2-enyl-2H-imidazole

1-methyl-3-prop-2-enyl-2H-imidazole (PubChem CID 19927377) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-prop-2-enyl-2H-imidazole
PubChem CID19927377
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1
InChIInChI=1S/C7H12N2/c1-3-4-9-6-5-8(2)7-9/h3,5-6H,1,4,7H2,2H3
InChIKeyPBIDWHVVZCGMAR-UHFFFAOYSA-N
XLogP0.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-3-prop-2-enyl-2H-imidazole?
The IUPAC name of 1-methyl-3-prop-2-enyl-2H-imidazole (CID 19927377) is 1-methyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is PBIDWHVVZCGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-9-6-5-8(2)7-9/h3,5-6H,1,4,7H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enyl-2H-imidazole?
1-methyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 19927377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).