N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide

C22H18N2O6 — CID 7564205

IUPACN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H18N2O6/c25-20-10-14(12-24(20)15-5-6-18-19(11-15)29-8-7-28-18)23-21(26)16-9-13-3-1-2-4-17(13)30-22(16)27/h1-6,9,11,14H,7-8,10,12H2,(H,23,26)/t14-/m1/s1
InChIKeyDJXKJCIRCUERDG-CQSZACIVSA-N
MW406.39 g/mol
LogP2.10
Rot. Bonds3

About N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide

N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 7564205) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
PubChem CID7564205
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H18N2O6/c25-20-10-14(12-24(20)15-5-6-18-19(11-15)29-8-7-28-18)23-21(26)16-9-13-3-1-2-4-17(13)30-22(16)27/h1-6,9,11,14H,7-8,10,12H2,(H,23,26)/t14-/m1/s1
InChIKeyDJXKJCIRCUERDG-CQSZACIVSA-N
XLogP2.10
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-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

2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 7564441
N-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-oxochromene-3-carboxamide
CID 16919217
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822351
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7564037
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 43971265
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 16819946
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 16810037
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 16822345
1-benzhydryl-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 41128700
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 43971301

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide (CID 7564205) is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide is O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is DJXKJCIRCUERDG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O6/c25-20-10-14(12-24(20)15-5-6-18-19(11-15)29-8-7-28-18)23-21(26)16-9-13-3-1-2-4-17(13)30-22(16)27/h1-6,9,11,14H,7-8,10,12H2,(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7564205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).