1-[(3-methylphenyl)methyl]pyrrole-2,5-dione

C12H11NO2 — CID 22989002

IUPAC1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1cccc(CN2C(=O)C=CC2=O)c1
InChIInChI=1S/C12H11NO2/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12(13)15/h2-7H,8H2,1H3
InChIKeyQYLRPFFUDYHKIR-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.42
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione

1-[(3-methylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 22989002) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
PubChem CID22989002
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1cccc(CN2C(=O)C=CC2=O)c1
InChIInChI=1S/C12H11NO2/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12(13)15/h2-7H,8H2,1H3
InChIKeyQYLRPFFUDYHKIR-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.42
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

3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 60902619
(3aS,7aS)-2-[(3-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98346033
1-[(3-methylphenyl)methyl]-7-(trifluoromethyl)indole-2,3-dione
CID 129218535
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
CID 91934419
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
3-amino-2-[(3-methylphenyl)methyl]-1H-pyrazol-5-one
CID 63274874
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 79777705
1-[(4-methyl-3-nitrophenyl)methyl]pyrrole-2,5-dione
CID 102248981
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione (CID 22989002) is 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione is Cc1cccc(CN2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is QYLRPFFUDYHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12(13)15/h2-7H,8H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 22989002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).