(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone

C9H12N2O — CID 60659997

IUPAC(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
SMILESCC1CC1C(=O)c1nccn1C
InChIInChI=1S/C9H12N2O/c1-6-5-7(6)8(12)9-10-3-4-11(9)2/h3-4,6-7H,5H2,1-2H3
InChIKeyUWXGXBSHNIWKGL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds2

About (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone

(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 60659997) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
PubChem CID60659997
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
SMILESCC1CC1C(=O)c1nccn1C
InChIInChI=1S/C9H12N2O/c1-6-5-7(6)8(12)9-10-3-4-11(9)2/h3-4,6-7H,5H2,1-2H3
InChIKeyUWXGXBSHNIWKGL-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
CID 116575884
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone
CID 116587952
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
1,4-dithian-2-yl-(1-methylimidazol-2-yl)methanone
CID 79971152
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 114972982
[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
CID 116589054
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone (CID 60659997) is (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone is CC1CC1C(=O)c1nccn1C.
What is the InChIKey of (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is UWXGXBSHNIWKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-5-7(6)8(12)9-10-3-4-11(9)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of (2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone?
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 164.21 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-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 60659997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).