2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one

C10H14N2O — CID 114972982

IUPAC2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCC(C(=O)c1nccn1C)C1CC1
InChIInChI=1S/C10H14N2O/c1-7(8-3-4-8)9(13)10-11-5-6-12(10)2/h5-8H,3-4H2,1-2H3
InChIKeyJKELUWJVXBUQQW-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one

2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 114972982) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
PubChem CID114972982
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCC(C(=O)c1nccn1C)C1CC1
InChIInChI=1S/C10H14N2O/c1-7(8-3-4-8)9(13)10-11-5-6-12(10)2/h5-8H,3-4H2,1-2H3
InChIKeyJKELUWJVXBUQQW-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one (CID 114972982) is 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one is CC(C(=O)c1nccn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is JKELUWJVXBUQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(8-3-4-8)9(13)10-11-5-6-12(10)2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one?
2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).