pyridin-4-yl prop-2-enoate

C8H7NO2 — CID 59502623

IUPACpyridin-4-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccncc1
InChIInChI=1S/C8H7NO2/c1-2-8(10)11-7-3-5-9-6-4-7/h2-6H,1H2
InChIKeyCPHPEFCWRNBBMR-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.17
Rot. Bonds2

About pyridin-4-yl prop-2-enoate

pyridin-4-yl prop-2-enoate (PubChem CID 59502623) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is pyridin-4-yl prop-2-enoate.

Molecular Properties

Compound Namepyridin-4-yl prop-2-enoate
PubChem CID59502623
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Namepyridin-4-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccncc1
InChIInChI=1S/C8H7NO2/c1-2-8(10)11-7-3-5-9-6-4-7/h2-6H,1H2
InChIKeyCPHPEFCWRNBBMR-UHFFFAOYSA-N
XLogP1.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 pyridin-4-yl prop-2-enoate?
The IUPAC name of pyridin-4-yl prop-2-enoate (CID 59502623) is pyridin-4-yl prop-2-enoate.
What is the SMILES notation for pyridin-4-yl prop-2-enoate?
The canonical SMILES for pyridin-4-yl prop-2-enoate is C=CC(=O)Oc1ccncc1.
What is the InChIKey of pyridin-4-yl prop-2-enoate?
The InChIKey is CPHPEFCWRNBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-2-8(10)11-7-3-5-9-6-4-7/h2-6H,1H2.
What are the key properties of pyridin-4-yl prop-2-enoate?
pyridin-4-yl prop-2-enoate has a molecular weight of 149.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl prop-2-enoate is sourced from PubChem (CID 59502623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).