methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C11H13N3O5 — CID 59975100

IUPACmethyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H13N3O5/c1-12-6-5-9(14(17)18)7-3-4-8(11(16)19-2)13(7)10(6)15/h5,8,12H,3-4H2,1-2H3
InChIKeyZULMUWJNAFLWOD-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.46
Rot. Bonds3

About methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975100) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975100
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Namemethyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H13N3O5/c1-12-6-5-9(14(17)18)7-3-4-8(11(16)19-2)13(7)10(6)15/h5,8,12H,3-4H2,1-2H3
InChIKeyZULMUWJNAFLWOD-UHFFFAOYSA-N
XLogP0.46
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 23559896
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975114
methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975119
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
methyl 6-methyl-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975146
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975153
Methyl 1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
CID 138585628
methyl (2R)-1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
CID 138585631

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975100) is methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OC)CC2.
What is the InChIKey of methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is ZULMUWJNAFLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-12-6-5-9(14(17)18)7-3-4-8(11(16)19-2)13(7)10(6)15/h5,8,12H,3-4H2,1-2H3.
What are the key properties of methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).