1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide

C11H13N3O2 — CID 168697847

IUPAC1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(N)cc2)C1
InChIInChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6,12H2,(H2,13,16)
InChIKeyKLKMZESXADPYHB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.11
Rot. Bonds2

About 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697847) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697847
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(N)cc2)C1
InChIInChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6,12H2,(H2,13,16)
InChIKeyKLKMZESXADPYHB-UHFFFAOYSA-N
XLogP0.11
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
CID 168698330
1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879047
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697847) is 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(N)cc2)C1.
What is the InChIKey of 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KLKMZESXADPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-6-7(11(13)16)5-10(14)15/h1-4,7H,5-6,12H2,(H2,13,16).
What are the key properties of 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).