(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide

C12H15N3O3 — CID 143474550

IUPAC(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(7-13-8)12(16)14-10-2-4-11(5-3-10)15(17)18/h2-5,8-9,13H,6-7H2,1H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyUEGHHTBXYMDILR-VEDVMXKPSA-N
MW249.27 g/mol
LogP1.53
Rot. Bonds3

About (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide

(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide (PubChem CID 143474550) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
PubChem CID143474550
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(7-13-8)12(16)14-10-2-4-11(5-3-10)15(17)18/h2-5,8-9,13H,6-7H2,1H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyUEGHHTBXYMDILR-VEDVMXKPSA-N
XLogP1.53
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.53
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

(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
CID 90476331
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide (CID 143474550) is (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide is C[C@@H]1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CN1.
What is the InChIKey of (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide?
The InChIKey is UEGHHTBXYMDILR-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-9(7-13-8)12(16)14-10-2-4-11(5-3-10)15(17)18/h2-5,8-9,13H,6-7H2,1H3,(H,14,16)/t8-,9?/m1/s1.
What are the key properties of (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide?
(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 143474550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).