ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate

C15H14N4O6 — CID 87993254

IUPACethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)ON3C(=O)CCC3=O)cccc21
InChIInChI=1S/C15H14N4O6/c1-2-24-15(23)18-11-5-3-4-10(9(11)8-16-18)17-14(22)25-19-12(20)6-7-13(19)21/h3-5,8H,2,6-7H2,1H3,(H,17,22)
InChIKeyRVFGOEJTNOJBOA-UHFFFAOYSA-N
MW346.30 g/mol
LogP1.65
Rot. Bonds3

About ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate

ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate (PubChem CID 87993254) has the molecular formula C15H14N4O6 and a molecular weight of 346.30 g/mol. Its IUPAC name is ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate
PubChem CID87993254
Molecular FormulaC15H14N4O6
Molecular Weight346.30 g/mol
Exact Mass346.09
IUPAC Nameethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)ON3C(=O)CCC3=O)cccc21
InChIInChI=1S/C15H14N4O6/c1-2-24-15(23)18-11-5-3-4-10(9(11)8-16-18)17-14(22)25-19-12(20)6-7-13(19)21/h3-5,8H,2,6-7H2,1H3,(H,17,22)
InChIKeyRVFGOEJTNOJBOA-UHFFFAOYSA-N
XLogP1.65
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate?
The IUPAC name of ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate (CID 87993254) is ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate is CCOC(=O)n1ncc2c(NC(=O)ON3C(=O)CCC3=O)cccc21.
What is the InChIKey of ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate?
The InChIKey is RVFGOEJTNOJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6/c1-2-24-15(23)18-11-5-3-4-10(9(11)8-16-18)17-14(22)25-19-12(20)6-7-13(19)21/h3-5,8H,2,6-7H2,1H3,(H,17,22).
What are the key properties of ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate?
ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate has a molecular weight of 346.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylate is sourced from PubChem (CID 87993254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).