N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

C14H16N2O4 — CID 78983233

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3CNC(=O)C3)cc2O1
InChIInChI=1S/C14H16N2O4/c1-14(2)19-10-4-3-9(6-11(10)20-14)16-13(18)8-5-12(17)15-7-8/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLNRZMGDMFGJNAK-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.27
Rot. Bonds2

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983233) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78983233
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3CNC(=O)C3)cc2O1
InChIInChI=1S/C14H16N2O4/c1-14(2)19-10-4-3-9(6-11(10)20-14)16-13(18)8-5-12(17)15-7-8/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLNRZMGDMFGJNAK-UHFFFAOYSA-N
XLogP1.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
CID 66030886
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 78983233) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is CC1(C)Oc2ccc(NC(=O)C3CNC(=O)C3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LNRZMGDMFGJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(2)19-10-4-3-9(6-11(10)20-14)16-13(18)8-5-12(17)15-7-8/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).