2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate

C10H11NO3 — CID 10375339

IUPAC2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1ccccc1=O
InChIInChI=1S/C10H11NO3/c1-2-10(13)14-8-7-11-6-4-3-5-9(11)12/h2-6H,1,7-8H2
InChIKeyGOXDTBGERJWOKI-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.58
Rot. Bonds4

About 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate

2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate (PubChem CID 10375339) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate
PubChem CID10375339
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1ccccc1=O
InChIInChI=1S/C10H11NO3/c1-2-10(13)14-8-7-11-6-4-3-5-9(11)12/h2-6H,1,7-8H2
InChIKeyGOXDTBGERJWOKI-UHFFFAOYSA-N
XLogP0.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate (CID 10375339) is 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate is C=CC(=O)OCCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate?
The InChIKey is GOXDTBGERJWOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-10(13)14-8-7-11-6-4-3-5-9(11)12/h2-6H,1,7-8H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate?
2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl prop-2-enoate is sourced from PubChem (CID 10375339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).