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

C7H10N2O — CID 15128991

IUPAC1-(3-methylimidazol-4-yl)propan-1-one
SMILESCCC(=O)c1cncn1C
InChIInChI=1S/C7H10N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
InChIKeyQZUSGFQVNBUUPC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.01
Rot. Bonds2

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

1-(3-methylimidazol-4-yl)propan-1-one (PubChem CID 15128991) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)propan-1-one
PubChem CID15128991
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(3-methylimidazol-4-yl)propan-1-one
SMILESCCC(=O)c1cncn1C
InChIInChI=1S/C7H10N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
InChIKeyQZUSGFQVNBUUPC-UHFFFAOYSA-N
XLogP1.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-4-yl)ethan-1-one
CID 565600
Ethanone, 1-(1-methyl-2-nitro-1H-imidazol-5-yl)-
CID 21503737
5H,6H,7H,8H-imidazo(1,5-a)pyridin-8-one
CID 16752069
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-one
CID 45086310
1-(1H-imidazol-5-yl)pentan-1-one
CID 573558
1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CID 86775416
1-(1H-imidazol-4-yl)pentan-1-one hydrochloride
CID 165467779
2-amino-1-(1-methyl-1H-imidazol-4-yl)ethan-1-onedihydrochloride
CID 165879953
2-amino-1-(1-methyl-1H-imidazol-5-yl)ethan-1-one dihydrochloride
CID 165950242

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-methylimidazol-4-yl)propan-1-one (CID 15128991) is 1-(3-methylimidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-methylimidazol-4-yl)propan-1-one is CCC(=O)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)propan-1-one?
The InChIKey is QZUSGFQVNBUUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)propan-1-one?
1-(3-methylimidazol-4-yl)propan-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)propan-1-one is sourced from PubChem (CID 15128991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).