3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one

C10H13NO — CID 59149181

IUPAC3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one
SMILESCC(C)C1C(=O)NC2=CC=CC21
InChIInChI=1S/C10H13NO/c1-6(2)9-7-4-3-5-8(7)11-10(9)12/h3-7,9H,1-2H3,(H,11,12)
InChIKeyFHJXEKREOSGBMX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.46
Rot. Bonds1

About 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one

3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one (PubChem CID 59149181) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one
PubChem CID59149181
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one
SMILESCC(C)C1C(=O)NC2=CC=CC21
InChIInChI=1S/C10H13NO/c1-6(2)9-7-4-3-5-8(7)11-10(9)12/h3-7,9H,1-2H3,(H,11,12)
InChIKeyFHJXEKREOSGBMX-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-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 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one?
The IUPAC name of 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one (CID 59149181) is 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one.
What is the SMILES notation for 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one?
The canonical SMILES for 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one is CC(C)C1C(=O)NC2=CC=CC21.
What is the InChIKey of 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one?
The InChIKey is FHJXEKREOSGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6(2)9-7-4-3-5-8(7)11-10(9)12/h3-7,9H,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one?
3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 59149181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).