1-cyclopropyl-2-pyridin-2-ylethanone

C10H11NO — CID 564185

IUPAC1-cyclopropyl-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CC1
InChIInChI=1S/C10H11NO/c12-10(8-4-5-8)7-9-3-1-2-6-11-9/h1-3,6,8H,4-5,7H2
InChIKeyMBPIDEXJDRYAKY-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.60
Rot. Bonds3

About 1-cyclopropyl-2-pyridin-2-ylethanone

1-cyclopropyl-2-pyridin-2-ylethanone (PubChem CID 564185) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-pyridin-2-ylethanone
PubChem CID564185
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-cyclopropyl-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CC1
InChIInChI=1S/C10H11NO/c12-10(8-4-5-8)7-9-3-1-2-6-11-9/h1-3,6,8H,4-5,7H2
InChIKeyMBPIDEXJDRYAKY-UHFFFAOYSA-N
XLogP1.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-cyclopropyl-2-pyridin-2-ylethanone (CID 564185) is 1-cyclopropyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-cyclopropyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-cyclopropyl-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-pyridin-2-ylethanone?
The InChIKey is MBPIDEXJDRYAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-10(8-4-5-8)7-9-3-1-2-6-11-9/h1-3,6,8H,4-5,7H2.
What are the key properties of 1-cyclopropyl-2-pyridin-2-ylethanone?
1-cyclopropyl-2-pyridin-2-ylethanone has a molecular weight of 161.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 564185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).