2-methyl-1-(3-methylimidazol-4-yl)propan-1-one

C8H12N2O — CID 15128992

IUPAC2-methyl-1-(3-methylimidazol-4-yl)propan-1-one
SMILESCC(C)C(=O)c1cncn1C
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-4-9-5-10(7)3/h4-6H,1-3H3
InChIKeyQVJPDEKDIFUXME-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.26
Rot. Bonds2

About 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one

2-methyl-1-(3-methylimidazol-4-yl)propan-1-one (PubChem CID 15128992) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylimidazol-4-yl)propan-1-one
PubChem CID15128992
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-1-(3-methylimidazol-4-yl)propan-1-one
SMILESCC(C)C(=O)c1cncn1C
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-4-9-5-10(7)3/h4-6H,1-3H3
InChIKeyQVJPDEKDIFUXME-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one (CID 15128992) is 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one is CC(C)C(=O)c1cncn1C.
What is the InChIKey of 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one?
The InChIKey is QVJPDEKDIFUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)8(11)7-4-9-5-10(7)3/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one?
2-methyl-1-(3-methylimidazol-4-yl)propan-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylimidazol-4-yl)propan-1-one is sourced from PubChem (CID 15128992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).