3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one

C8H9NO — CID 158214240

IUPAC3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one
SMILESCC1=NCC2=C1CCC2=O
InChIInChI=1S/C8H9NO/c1-5-6-2-3-8(10)7(6)4-9-5/h2-4H2,1H3
InChIKeyVKVGEYKKOKPEFS-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.12
Rot. Bonds

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

3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one (PubChem CID 158214240) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one
PubChem CID158214240
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one
SMILESCC1=NCC2=C1CCC2=O
InChIInChI=1S/C8H9NO/c1-5-6-2-3-8(10)7(6)4-9-5/h2-4H2,1H3
InChIKeyVKVGEYKKOKPEFS-UHFFFAOYSA-N
XLogP1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one?
The IUPAC name of 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one (CID 158214240) is 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one.
What is the SMILES notation for 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one?
The canonical SMILES for 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one is CC1=NCC2=C1CCC2=O.
What is the InChIKey of 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one?
The InChIKey is VKVGEYKKOKPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-5-6-2-3-8(10)7(6)4-9-5/h2-4H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one?
3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one has a molecular weight of 135.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1H-cyclopenta[c]pyrrol-6-one is sourced from PubChem (CID 158214240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).