N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide

C13H17N3O3 — CID 98218270

IUPACN-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H17N3O3/c1-7(2)16-11(17)6-10(13(16)19)15-12(18)9-4-5-14-8(9)3/h4-5,7,10,14H,6H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyBODXGTFMEPPEFN-SNVBAGLBSA-N
MW263.30 g/mol
LogP0.59
Rot. Bonds3

About N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 98218270) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID98218270
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H17N3O3/c1-7(2)16-11(17)6-10(13(16)19)15-12(18)9-4-5-14-8(9)3/h4-5,7,10,14H,6H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyBODXGTFMEPPEFN-SNVBAGLBSA-N
XLogP0.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 122145655
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2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
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N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
CID 98545792
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119343946
1-(3,5-dimethylphenyl)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 154737230
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CID 98343599
1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71852782
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495709
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 98343615
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 98212790

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide (CID 98218270) is N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is BODXGTFMEPPEFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7(2)16-11(17)6-10(13(16)19)15-12(18)9-4-5-14-8(9)3/h4-5,7,10,14H,6H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 98218270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).