methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C10H11N3O5 — CID 59975119

IUPACmethyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2c([N+](=O)[O-])cc(N)c(=O)n21
InChIInChI=1S/C10H11N3O5/c1-18-10(15)7-3-2-6-8(13(16)17)4-5(11)9(14)12(6)7/h4,7H,2-3,11H2,1H3
InChIKeyHWBKBFDTIYBOLR-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.00
Rot. Bonds2

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

methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975119) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975119
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Namemethyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2c([N+](=O)[O-])cc(N)c(=O)n21
InChIInChI=1S/C10H11N3O5/c1-18-10(15)7-3-2-6-8(13(16)17)4-5(11)9(14)12(6)7/h4,7H,2-3,11H2,1H3
InChIKeyHWBKBFDTIYBOLR-UHFFFAOYSA-N
XLogP-0.00
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.00
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 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975100
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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975119) is methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is COC(=O)C1CCc2c([N+](=O)[O-])cc(N)c(=O)n21.
What is the InChIKey of methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is HWBKBFDTIYBOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-18-10(15)7-3-2-6-8(13(16)17)4-5(11)9(14)12(6)7/h4,7H,2-3,11H2,1H3.
What are the key properties of methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 253.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).