N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide

C12H15N3O4 — CID 47191407

IUPACN-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC1
InChIInChI=1S/C12H15N3O4/c1-19-11-5-4-9(15(17)18)8-10(11)13-12(16)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyOFNGYVIAQKLLTM-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.23
Rot. Bonds3

About N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide

N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide (PubChem CID 47191407) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
PubChem CID47191407
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC1
InChIInChI=1S/C12H15N3O4/c1-19-11-5-4-9(15(17)18)8-10(11)13-12(16)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyOFNGYVIAQKLLTM-UHFFFAOYSA-N
XLogP2.23
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
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

[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7583953
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2958014
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
(Z)-3-(2-methoxy-5-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862432
N-(2-methoxy-5-nitrophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
CID 3758637
4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 17148609
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide (CID 47191407) is N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide?
The InChIKey is OFNGYVIAQKLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-11-5-4-9(15(17)18)8-10(11)13-12(16)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide?
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47191407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).