ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate

C16H16N2O7 — CID 57361032

IUPACethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate
SMILESCCOC(=O)CNNC(=O)c1cc(O)cc2oc(=O)c(C(C)=O)cc12
InChIInChI=1S/C16H16N2O7/c1-3-24-14(21)7-17-18-15(22)12-4-9(20)5-13-11(12)6-10(8(2)19)16(23)25-13/h4-6,17,20H,3,7H2,1-2H3,(H,18,22)
InChIKeyIUVIEUIIBXSUHG-UHFFFAOYSA-N
MW348.31 g/mol
LogP0.50
Rot. Bonds6

About ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate

ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate (PubChem CID 57361032) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate
PubChem CID57361032
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Nameethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate
SMILESCCOC(=O)CNNC(=O)c1cc(O)cc2oc(=O)c(C(C)=O)cc12
InChIInChI=1S/C16H16N2O7/c1-3-24-14(21)7-17-18-15(22)12-4-9(20)5-13-11(12)6-10(8(2)19)16(23)25-13/h4-6,17,20H,3,7H2,1-2H3,(H,18,22)
InChIKeyIUVIEUIIBXSUHG-UHFFFAOYSA-N
XLogP0.50
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]-3-hydroxypropanoate
CID 57360821
ethyl 7-hydroxy-5-methyl-2-oxochromene-3-carboxylate
CID 23085530
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
3-acetyl-5-methyl-7-(4-methylphenyl)chromen-2-one
CID 166066840
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
(6-acetyl-3-ethyl-4-methyl-2-oxochromen-7-yl) acetate
CID 57398787
6-O-ethyl 7-O-methyl 2-oxo-3,4-diphenylchromene-6,7-dicarboxylate
CID 134912171
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230
3-acetyl-7-hydroxychromen-2-one;7-hydroxy-N-[(2S)-2-(methylamino)-3-oxobutyl]-2-oxochromene-3-carboxamide
CID 161031650
benzene-1,3-diol;3-chloro-4,7-dimethylchromen-2-one;ethyl 3-oxobutanoate;7-hydroxy-4-methylchromen-2-one
CID 159980693
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate?
The IUPAC name of ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate (CID 57361032) is ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate?
The canonical SMILES for ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate is CCOC(=O)CNNC(=O)c1cc(O)cc2oc(=O)c(C(C)=O)cc12.
What is the InChIKey of ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate?
The InChIKey is IUVIEUIIBXSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7/c1-3-24-14(21)7-17-18-15(22)12-4-9(20)5-13-11(12)6-10(8(2)19)16(23)25-13/h4-6,17,20H,3,7H2,1-2H3,(H,18,22).
What are the key properties of ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate?
ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate has a molecular weight of 348.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-acetyl-7-hydroxy-2-oxochromene-5-carbonyl)hydrazinyl]acetate is sourced from PubChem (CID 57361032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).