(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate

C13H14N2O4 — CID 71744855

IUPAC(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)ON1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-14(2)13(18)19-15-11(16)8-10(12(15)17)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyWZGAZCLXYLNBGH-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.14
Rot. Bonds2

About (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate

(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate (PubChem CID 71744855) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate
PubChem CID71744855
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)ON1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-14(2)13(18)19-15-11(16)8-10(12(15)17)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyWZGAZCLXYLNBGH-UHFFFAOYSA-N
XLogP1.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate?
The IUPAC name of (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate (CID 71744855) is (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate is CN(C)C(=O)ON1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate?
The InChIKey is WZGAZCLXYLNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-14(2)13(18)19-15-11(16)8-10(12(15)17)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate?
(2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate has a molecular weight of 262.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-3-phenylpyrrolidin-1-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 71744855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).