1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one

C11H16N2O — CID 114529606

IUPAC1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(C)CC1
InChIInChI=1S/C11H16N2O/c1-11(5-6-11)9(14)3-4-10-12-7-8-13(10)2/h7-8H,3-6H2,1-2H3
InChIKeyALOAPBOQAJVXJP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds4

About 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 114529606) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID114529606
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(C)CC1
InChIInChI=1S/C11H16N2O/c1-11(5-6-11)9(14)3-4-10-12-7-8-13(10)2/h7-8H,3-6H2,1-2H3
InChIKeyALOAPBOQAJVXJP-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
(1-methylcyclopropyl)-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137342045
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529640
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 114529670

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 114529606) is 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is ALOAPBOQAJVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(5-6-11)9(14)3-4-10-12-7-8-13(10)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114529606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).