ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate

C15H16N2O3 — CID 12758418

IUPACethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-2-20-15(19)10-11-17-14(18)9-8-13(16-17)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyQIDMSNDPRLMUDU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.86
Rot. Bonds5

About ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate

ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate (PubChem CID 12758418) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate
PubChem CID12758418
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-2-20-15(19)10-11-17-14(18)9-8-13(16-17)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyQIDMSNDPRLMUDU-UHFFFAOYSA-N
XLogP1.86
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate (CID 12758418) is ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate is CCOC(=O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate?
The InChIKey is QIDMSNDPRLMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-15(19)10-11-17-14(18)9-8-13(16-17)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate?
ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-oxo-3-phenylpyridazin-1-yl)propanoate is sourced from PubChem (CID 12758418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).