ethyl 2-(1H-indazol-3-yl)-2-oxoacetate

C11H10N2O3 — CID 70319285

IUPACethyl 2-(1H-indazol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)10(14)9-7-5-3-4-6-8(7)12-13-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyOWFIMDOKHFUAKM-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-(1H-indazol-3-yl)-2-oxoacetate

ethyl 2-(1H-indazol-3-yl)-2-oxoacetate (PubChem CID 70319285) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 2-(1H-indazol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(1H-indazol-3-yl)-2-oxoacetate
PubChem CID70319285
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 2-(1H-indazol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)10(14)9-7-5-3-4-6-8(7)12-13-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyOWFIMDOKHFUAKM-UHFFFAOYSA-N
XLogP1.31
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
1-(1H-indazol-3-yl)ethanone
CID 15684169
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl (E)-2-cyano-3-(1H-indazol-3-ylamino)prop-2-enoate
CID 122360524
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indazol-3-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(1H-indazol-3-yl)-2-oxoacetate (CID 70319285) is ethyl 2-(1H-indazol-3-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(1H-indazol-3-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(1H-indazol-3-yl)-2-oxoacetate is CCOC(=O)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of ethyl 2-(1H-indazol-3-yl)-2-oxoacetate?
The InChIKey is OWFIMDOKHFUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-16-11(15)10(14)9-7-5-3-4-6-8(7)12-13-9/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(1H-indazol-3-yl)-2-oxoacetate?
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate has a molecular weight of 218.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indazol-3-yl)-2-oxoacetate is sourced from PubChem (CID 70319285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).