1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one

C10H15NO — CID 175612370

IUPAC1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1CN=C(C2CC2)C1
InChIInChI=1S/C10H15NO/c1-2-10(12)8-5-9(11-6-8)7-3-4-7/h7-8H,2-6H2,1H3
InChIKeyXEXZQHOVRYZLNO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.84
Rot. Bonds3

About 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one

1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one (PubChem CID 175612370) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
PubChem CID175612370
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1CN=C(C2CC2)C1
InChIInChI=1S/C10H15NO/c1-2-10(12)8-5-9(11-6-8)7-3-4-7/h7-8H,2-6H2,1H3
InChIKeyXEXZQHOVRYZLNO-UHFFFAOYSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one 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-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one (CID 175612370) is 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one is CCC(=O)C1CN=C(C2CC2)C1.
What is the InChIKey of 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The InChIKey is XEXZQHOVRYZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12)8-5-9(11-6-8)7-3-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 175612370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).