3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one

C10H13NO — CID 153319015

IUPAC3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one
SMILESCC(C)C1=NCC2=C1C(=O)CC2
InChIInChI=1S/C10H13NO/c1-6(2)10-9-7(5-11-10)3-4-8(9)12/h6H,3-5H2,1-2H3
InChIKeyHZWRSLVLPRNIHG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.76
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one

3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one (PubChem CID 153319015) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one
PubChem CID153319015
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one
SMILESCC(C)C1=NCC2=C1C(=O)CC2
InChIInChI=1S/C10H13NO/c1-6(2)10-9-7(5-11-10)3-4-8(9)12/h6H,3-5H2,1-2H3
InChIKeyHZWRSLVLPRNIHG-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one (CID 153319015) is 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one is CC(C)C1=NCC2=C1C(=O)CC2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one?
The InChIKey is HZWRSLVLPRNIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6(2)10-9-7(5-11-10)3-4-8(9)12/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one?
3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrrol-4-one is sourced from PubChem (CID 153319015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).