(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate

C12H12N2O4 — CID 88553951

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C12H12N2O4/c1-8-3-2-4-9(7-8)13-12(17)18-14-10(15)5-6-11(14)16/h2-4,7H,5-6H2,1H3,(H,13,17)
InChIKeyOIEWTCVTYDLKOM-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.61
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate (PubChem CID 88553951) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
PubChem CID88553951
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C12H12N2O4/c1-8-3-2-4-9(7-8)13-12(17)18-14-10(15)5-6-11(14)16/h2-4,7H,5-6H2,1H3,(H,13,17)
InChIKeyOIEWTCVTYDLKOM-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
CID 87207235
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614
N-(3-methylphenyl)acetamide
CID 10843
[2-(3-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204319
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-methylphenyl)carbamate
CID 6927846
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-methylphenyl)carbamate
CID 6927848
N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
CID 691768
trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 172554100
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
CID 79337441

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate (CID 88553951) is (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)ON2C(=O)CCC2=O)c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate?
The InChIKey is OIEWTCVTYDLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-8-3-2-4-9(7-8)13-12(17)18-14-10(15)5-6-11(14)16/h2-4,7H,5-6H2,1H3,(H,13,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate has a molecular weight of 248.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate is sourced from PubChem (CID 88553951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).