phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C10H11N2O4P — CID 142066959

IUPACphosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESNc1cc(C=O)c2n(c1=O)C(C(=O)OP)CC2
InChIInChI=1S/C10H11N2O4P/c11-6-3-5(4-13)7-1-2-8(10(15)16-17)12(7)9(6)14/h3-4,8H,1-2,11,17H2
InChIKeyWPZVCKBBJBQBJM-UHFFFAOYSA-N
MW254.18 g/mol
LogP0.06
Rot. Bonds2

About phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 142066959) has the molecular formula C10H11N2O4P and a molecular weight of 254.18 g/mol. Its IUPAC name is phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namephosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID142066959
Molecular FormulaC10H11N2O4P
Molecular Weight254.18 g/mol
Exact Mass254.05
IUPAC Namephosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESNc1cc(C=O)c2n(c1=O)C(C(=O)OP)CC2
InChIInChI=1S/C10H11N2O4P/c11-6-3-5(4-13)7-1-2-8(10(15)16-17)12(7)9(6)14/h3-4,8H,1-2,11,17H2
InChIKeyWPZVCKBBJBQBJM-UHFFFAOYSA-N
XLogP0.06
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 142066959) is phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is Nc1cc(C=O)c2n(c1=O)C(C(=O)OP)CC2.
What is the InChIKey of phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is WPZVCKBBJBQBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O4P/c11-6-3-5(4-13)7-1-2-8(10(15)16-17)12(7)9(6)14/h3-4,8H,1-2,11,17H2.
What are the key properties of phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 254.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 6-amino-8-formyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 142066959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).