methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate

C13H15N3O3 — CID 13186153

IUPACmethyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)NN)n(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16-9-6-4-3-5-8(9)12(13(18)19-2)10(16)7-11(17)15-14/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeyDLEGDZXYNKOGGR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.50
Rot. Bonds3

About methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate

methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate (PubChem CID 13186153) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
PubChem CID13186153
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)NN)n(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16-9-6-4-3-5-8(9)12(13(18)19-2)10(16)7-11(17)15-14/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeyDLEGDZXYNKOGGR-UHFFFAOYSA-N
XLogP0.50
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
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CID 139057809
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
ethyl 2-(1-methyl-3-octadecanoylindol-2-yl)acetate
CID 10743452
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate
CID 1209072
N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
CID 630980
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate?
The IUPAC name of methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate (CID 13186153) is methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate.
What is the SMILES notation for methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate?
The canonical SMILES for methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate is COC(=O)c1c(CC(=O)NN)n(C)c2ccccc12.
What is the InChIKey of methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate?
The InChIKey is DLEGDZXYNKOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-9-6-4-3-5-8(9)12(13(18)19-2)10(16)7-11(17)15-14/h3-6H,7,14H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate?
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 13186153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).