2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide

C14H19N3O4 — CID 62468286

IUPAC2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1CCCO
InChIInChI=1S/C14H19N3O4/c18-9-3-7-12-6-2-8-16(12)14(19)15-11-4-1-5-13(10-11)17(20)21/h1,4-5,10,12,18H,2-3,6-9H2,(H,15,19)
InChIKeyXKFMTSUZSMEMKE-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.36
Rot. Bonds5

About 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide

2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide (PubChem CID 62468286) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
PubChem CID62468286
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1CCCO
InChIInChI=1S/C14H19N3O4/c18-9-3-7-12-6-2-8-16(12)14(19)15-11-4-1-5-13(10-11)17(20)21/h1,4-5,10,12,18H,2-3,6-9H2,(H,15,19)
InChIKeyXKFMTSUZSMEMKE-UHFFFAOYSA-N
XLogP2.36
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
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

(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335
(2S)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257336
N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62478156
(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 52502579
(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 29286120
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 111102185
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 62469311
N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62479972
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide (CID 62468286) is 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide?
The InChIKey is XKFMTSUZSMEMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-9-3-7-12-6-2-8-16(12)14(19)15-11-4-1-5-13(10-11)17(20)21/h1,4-5,10,12,18H,2-3,6-9H2,(H,15,19).
What are the key properties of 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide?
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 62468286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).