3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide

C13H17N3O3 — CID 102779250

IUPAC3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2NCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-5-6-14-12(8)13(17)15-10-3-4-11(16(18)19)9(2)7-10/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,15,17)
InChIKeyUYUHRUSNMVXZSJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide

3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 102779250) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID102779250
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2NCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-5-6-14-12(8)13(17)15-10-3-4-11(16(18)19)9(2)7-10/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,15,17)
InChIKeyUYUHRUSNMVXZSJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.84
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

3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148
N-(2-bromo-4-methyl-5-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102780033
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
N-(4-cyano-2-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779515
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
5-[(3-methyl-4-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688379
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide (CID 102779250) is 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2NCCC2C)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is UYUHRUSNMVXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-5-6-14-12(8)13(17)15-10-3-4-11(16(18)19)9(2)7-10/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide?
3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).