N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

C14H19N3O3 — CID 106974417

IUPACN-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C14H19N3O3/c1-2-8-14(9-5-10-15-14)13(18)16-11-6-3-4-7-12(11)17(19)20/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyJXXINATUUCCROH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds5

About N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide

N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974417) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974417
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C14H19N3O3/c1-2-8-14(9-5-10-15-14)13(18)16-11-6-3-4-7-12(11)17(19)20/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyJXXINATUUCCROH-UHFFFAOYSA-N
XLogP2.46
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
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

N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 83073858
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064403
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974417) is N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCN1.
What is the InChIKey of N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is JXXINATUUCCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-8-14(9-5-10-15-14)13(18)16-11-6-3-4-7-12(11)17(19)20/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,18).
What are the key properties of N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).