1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide

C13H15N3O5 — CID 103800275

IUPAC1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H15N3O5/c1-14-12(18)10-6-3-7-15(10)13(19)8-4-2-5-9(11(8)17)16(20)21/h2,4-5,10,17H,3,6-7H2,1H3,(H,14,18)
InChIKeyZMVGFASUBJSFGT-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.65
Rot. Bonds3

About 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide

1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 103800275) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID103800275
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H15N3O5/c1-14-12(18)10-6-3-7-15(10)13(19)8-4-2-5-9(11(8)17)16(20)21/h2,4-5,10,17H,3,6-7H2,1H3,(H,14,18)
InChIKeyZMVGFASUBJSFGT-UHFFFAOYSA-N
XLogP0.65
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 99628395
[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 97099708
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103800253
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 103800275) is 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZMVGFASUBJSFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-14-12(18)10-6-3-7-15(10)13(19)8-4-2-5-9(11(8)17)16(20)21/h2,4-5,10,17H,3,6-7H2,1H3,(H,14,18).
What are the key properties of 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103800275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).