2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one

C9H11NO — CID 130006176

IUPAC2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
SMILESCc1[nH]c2c(c1C)CCC2=O
InChIInChI=1S/C9H11NO/c1-5-6(2)10-9-7(5)3-4-8(9)11/h10H,3-4H2,1-2H3
InChIKeyJQWAVAFTWFVHIS-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.76
Rot. Bonds

About 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one

2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one (PubChem CID 130006176) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one.

Molecular Properties

Compound Name2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
PubChem CID130006176
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
SMILESCc1[nH]c2c(c1C)CCC2=O
InChIInChI=1S/C9H11NO/c1-5-6(2)10-9-7(5)3-4-8(9)11/h10H,3-4H2,1-2H3
InChIKeyJQWAVAFTWFVHIS-UHFFFAOYSA-N
XLogP1.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The IUPAC name of 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one (CID 130006176) is 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one.
What is the SMILES notation for 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The canonical SMILES for 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one is Cc1[nH]c2c(c1C)CCC2=O.
What is the InChIKey of 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The InChIKey is JQWAVAFTWFVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-5-6(2)10-9-7(5)3-4-8(9)11/h10H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one has a molecular weight of 149.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one is sourced from PubChem (CID 130006176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).