N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide

C12H15N3O3 — CID 2959226

IUPACN-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O3/c16-12(9-14-7-1-2-8-14)13-10-3-5-11(6-4-10)15(17)18/h3-6H,1-2,7-9H2,(H,13,16)
InChIKeyGSTWJGHEEBKDPK-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.63
Rot. Bonds4

About N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide

N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 2959226) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID2959226
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O3/c16-12(9-14-7-1-2-8-14)13-10-3-5-11(6-4-10)15(17)18/h3-6H,1-2,7-9H2,(H,13,16)
InChIKeyGSTWJGHEEBKDPK-UHFFFAOYSA-N
XLogP1.63
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide (CID 2959226) is N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is GSTWJGHEEBKDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(9-14-7-1-2-8-14)13-10-3-5-11(6-4-10)15(17)18/h3-6H,1-2,7-9H2,(H,13,16).
What are the key properties of N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 249.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2959226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).