methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate

C11H11N3O5 — CID 168694771

IUPACmethyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H11N3O5/c1-19-11(16)7-4-10(15)13(6-7)9-3-2-8(5-12-9)14(17)18/h2-3,5,7H,4,6H2,1H3
InChIKeyYVIGDBQXSSLDJY-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.52
Rot. Bonds3

About methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694771) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168694771
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Namemethyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H11N3O5/c1-19-11(16)7-4-10(15)13(6-7)9-3-2-8(5-12-9)14(17)18/h2-3,5,7H,4,6H2,1H3
InChIKeyYVIGDBQXSSLDJY-UHFFFAOYSA-N
XLogP0.52
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
methyl (3R,4S)-3-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 125138651
methyl 6-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-5-nitropyridine-3-carboxylate
CID 168693362
methyl 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate;thionyl dichloride
CID 162016145
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693538
methyl 1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168695272
methyl 1-(5-methyl-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693696
methyl 1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694693
methyl 1-(2-bromo-6-fluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694483
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694834

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate (CID 168694771) is methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is YVIGDBQXSSLDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-19-11(16)7-4-10(15)13(6-7)9-3-2-8(5-12-9)14(17)18/h2-3,5,7H,4,6H2,1H3.
What are the key properties of methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 265.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).