N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide

C12H12N2O4 — CID 56765647

IUPACN-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C1CC(NC(=O)c2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C12H12N2O4/c15-11-4-8(5-13-11)14-12(16)7-1-2-9-10(3-7)18-6-17-9/h1-3,8H,4-6H2,(H,13,15)(H,14,16)
InChIKeyQGMJJVPIUJIJTA-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.03
Rot. Bonds2

About N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 56765647) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID56765647
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C1CC(NC(=O)c2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C12H12N2O4/c15-11-4-8(5-13-11)14-12(16)7-1-2-9-10(3-7)18-6-17-9/h1-3,8H,4-6H2,(H,13,15)(H,14,16)
InChIKeyQGMJJVPIUJIJTA-UHFFFAOYSA-N
XLogP0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide 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

N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
N-(5-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 114156980
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 56765647) is N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide is O=C1CC(NC(=O)c2ccc3c(c2)OCO3)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is QGMJJVPIUJIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-11-4-8(5-13-11)14-12(16)7-1-2-9-10(3-7)18-6-17-9/h1-3,8H,4-6H2,(H,13,15)(H,14,16).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56765647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).