3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one

C8H9NO2 — CID 70289631

IUPAC3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one
SMILESC=C(O)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-9-8(7)11/h2-4,10H,1,5H2,(H,9,11)
InChIKeyWMZMNHPNXJROFT-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.99
Rot. Bonds2

About 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one

3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one (PubChem CID 70289631) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one
PubChem CID70289631
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one
SMILESC=C(O)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-9-8(7)11/h2-4,10H,1,5H2,(H,9,11)
InChIKeyWMZMNHPNXJROFT-UHFFFAOYSA-N
XLogP0.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one (CID 70289631) is 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one is C=C(O)Cc1ccc[nH]c1=O.
What is the InChIKey of 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one?
The InChIKey is WMZMNHPNXJROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-9-8(7)11/h2-4,10H,1,5H2,(H,9,11).
What are the key properties of 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one?
3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyprop-2-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 70289631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).