1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one

C13H17N3O3 — CID 103711175

IUPAC1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
SMILESCN1CCC(NCCc2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C13H17N3O3/c1-15-9-7-11(13(15)17)14-8-6-10-4-2-3-5-12(10)16(18)19/h2-5,11,14H,6-9H2,1H3
InChIKeyXUBVIUCCQOAJDP-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.96
Rot. Bonds5

About 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one

1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one (PubChem CID 103711175) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
PubChem CID103711175
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
SMILESCN1CCC(NCCc2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C13H17N3O3/c1-15-9-7-11(13(15)17)14-8-6-10-4-2-3-5-12(10)16(18)19/h2-5,11,14H,6-9H2,1H3
InChIKeyXUBVIUCCQOAJDP-UHFFFAOYSA-N
XLogP0.96
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.96
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

3-[(4-bromo-2-nitrophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252869
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63061772
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106257588
3-[(2-bromo-4-nitrophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 104952511
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
1-methyl-N-[(2-nitrophenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 119040628
2-(2-nitrophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 63063657
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
3-(3-amino-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258532

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one (CID 103711175) is 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one is CN1CCC(NCCc2ccccc2[N+](=O)[O-])C1=O.
What is the InChIKey of 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one?
The InChIKey is XUBVIUCCQOAJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-9-7-11(13(15)17)14-8-6-10-4-2-3-5-12(10)16(18)19/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one?
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 103711175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).