2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide

C13H14N2O4 — CID 71457241

IUPAC2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide
SMILESCc1c(C)c2ccc(OCC(=O)NN)cc2oc1=O
InChIInChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyLXCWGKABAVZBQU-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.78
Rot. Bonds3

About 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide

2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide (PubChem CID 71457241) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide
PubChem CID71457241
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide
SMILESCc1c(C)c2ccc(OCC(=O)NN)cc2oc1=O
InChIInChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyLXCWGKABAVZBQU-UHFFFAOYSA-N
XLogP0.78
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide?
The IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide (CID 71457241) is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide.
What is the SMILES notation for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide?
The canonical SMILES for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide is Cc1c(C)c2ccc(OCC(=O)NN)cc2oc1=O.
What is the InChIKey of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide?
The InChIKey is LXCWGKABAVZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide?
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide has a molecular weight of 262.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetohydrazide is sourced from PubChem (CID 71457241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).