1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one

C9H12N2O2 — CID 80581500

IUPAC1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C9H12N2O2/c1-10-4-5-11(9(10)13)6-8(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyZKAKTEASGYSLBB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one

1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one (PubChem CID 80581500) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one
PubChem CID80581500
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C9H12N2O2/c1-10-4-5-11(9(10)13)6-8(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyZKAKTEASGYSLBB-UHFFFAOYSA-N
XLogP0.17
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one (CID 80581500) is 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one is Cn1ccn(CC(=O)C2CC2)c1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one?
The InChIKey is ZKAKTEASGYSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-4-5-11(9(10)13)6-8(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one?
1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-oxoethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 80581500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).