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

C9H9NO3 — CID 10058094

IUPAC(2-oxo-1-pyridinyl)methyl prop-2-enoate
SMILESC=CC(=O)OCn1ccccc1=O
InChIInChI=1S/C9H9NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h2-6H,1,7H2
InChIKeyRQUBPMFAYUUAMZ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.54
Rot. Bonds3

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

(2-oxo-1-pyridinyl)methyl prop-2-enoate (PubChem CID 10058094) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl)methyl prop-2-enoate
PubChem CID10058094
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2-oxo-1-pyridinyl)methyl prop-2-enoate
SMILESC=CC(=O)OCn1ccccc1=O
InChIInChI=1S/C9H9NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h2-6H,1,7H2
InChIKeyRQUBPMFAYUUAMZ-UHFFFAOYSA-N
XLogP0.54
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.54
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-oxo-1-pyridinyl)methyl prop-2-enoate?
The IUPAC name of (2-oxo-1-pyridinyl)methyl prop-2-enoate (CID 10058094) is (2-oxo-1-pyridinyl)methyl prop-2-enoate.
What is the SMILES notation for (2-oxo-1-pyridinyl)methyl prop-2-enoate?
The canonical SMILES for (2-oxo-1-pyridinyl)methyl prop-2-enoate is C=CC(=O)OCn1ccccc1=O.
What is the InChIKey of (2-oxo-1-pyridinyl)methyl prop-2-enoate?
The InChIKey is RQUBPMFAYUUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h2-6H,1,7H2.
What are the key properties of (2-oxo-1-pyridinyl)methyl prop-2-enoate?
(2-oxo-1-pyridinyl)methyl prop-2-enoate has a molecular weight of 179.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl)methyl prop-2-enoate is sourced from PubChem (CID 10058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).