ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate

C15H18N2O5 — CID 22307410

IUPACethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(OC)c2c1C(=O)CCO2
InChIInChI=1S/C15H18N2O5/c1-4-21-15(19)9(2)16-17-10-5-6-12(20-3)14-13(10)11(18)7-8-22-14/h5-6,17H,4,7-8H2,1-3H3/b16-9+
InChIKeyLLGYNJXFUNPBER-CXUHLZMHSA-N
MW306.32 g/mol
LogP2.01
Rot. Bonds5

About ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate

ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate (PubChem CID 22307410) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate
PubChem CID22307410
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(OC)c2c1C(=O)CCO2
InChIInChI=1S/C15H18N2O5/c1-4-21-15(19)9(2)16-17-10-5-6-12(20-3)14-13(10)11(18)7-8-22-14/h5-6,17H,4,7-8H2,1-3H3/b16-9+
InChIKeyLLGYNJXFUNPBER-CXUHLZMHSA-N
XLogP2.01
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate (CID 22307410) is ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1ccc(OC)c2c1C(=O)CCO2.
What is the InChIKey of ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate?
The InChIKey is LLGYNJXFUNPBER-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-21-15(19)9(2)16-17-10-5-6-12(20-3)14-13(10)11(18)7-8-22-14/h5-6,17H,4,7-8H2,1-3H3/b16-9+.
What are the key properties of ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate?
ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate has a molecular weight of 306.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate is sourced from PubChem (CID 22307410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).