4-amino-1-(2-nitrophenyl)pyrrolidin-2-one

C10H11N3O3 — CID 168700800

IUPAC4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11N3O3/c11-7-5-10(14)12(6-7)8-3-1-2-4-9(8)13(15)16/h1-4,7H,5-6,11H2
InChIKeyPCYHUTCWLDDBME-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.66
Rot. Bonds2

About 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one

4-amino-1-(2-nitrophenyl)pyrrolidin-2-one (PubChem CID 168700800) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
PubChem CID168700800
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11N3O3/c11-7-5-10(14)12(6-7)8-3-1-2-4-9(8)13(15)16/h1-4,7H,5-6,11H2
InChIKeyPCYHUTCWLDDBME-UHFFFAOYSA-N
XLogP0.66
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168700491
1-(2-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671773
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one
CID 134532198
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
4-amino-1-(4-bromo-5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168699533
5-amino-2-(2-nitrophenyl)-4H-pyrazol-3-one
CID 83535658
[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7336292
2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
CID 168699033
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one (CID 168700800) is 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one?
The InChIKey is PCYHUTCWLDDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-7-5-10(14)12(6-7)8-3-1-2-4-9(8)13(15)16/h1-4,7H,5-6,11H2.
What are the key properties of 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one?
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).