4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione

C14H13NO2 — CID 72723683

IUPAC4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1=C2C(=O)N(c3ccccc3)C(=O)C2CC1
InChIInChI=1S/C14H13NO2/c1-9-7-8-11-12(9)14(17)15(13(11)16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyPARNBHXIFJDWRX-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.29
Rot. Bonds1

About 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione

4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 72723683) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione
PubChem CID72723683
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1=C2C(=O)N(c3ccccc3)C(=O)C2CC1
InChIInChI=1S/C14H13NO2/c1-9-7-8-11-12(9)14(17)15(13(11)16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyPARNBHXIFJDWRX-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 146639255
(3aS,7aR)-6-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-7-methyl-2-phenyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
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4-ethyl-6-phenyl-2,3-dihydropyrrolo[2,3-b]pyrrol-5-one
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(3aS,5S,6S,7aR)-5,6-dibromo-2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11862907
CID 6331201
CID 6331201
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione (CID 72723683) is 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione is CC1=C2C(=O)N(c3ccccc3)C(=O)C2CC1.
What is the InChIKey of 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is PARNBHXIFJDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-7-8-11-12(9)14(17)15(13(11)16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione?
4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 227.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 72723683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).