3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one

C18H16N2O3 — CID 2945301

IUPAC3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-11-20-15-9-4-3-7-13(15)18(23,17(20)22)12-16(21)14-8-5-6-10-19-14/h2-10,23H,1,11-12H2
InChIKeyCVOMAUKCVNNUFC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.07
Rot. Bonds5

About 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one

3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one (PubChem CID 2945301) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one
PubChem CID2945301
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-11-20-15-9-4-3-7-13(15)18(23,17(20)22)12-16(21)14-8-5-6-10-19-14/h2-10,23H,1,11-12H2
InChIKeyCVOMAUKCVNNUFC-UHFFFAOYSA-N
XLogP2.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one (CID 2945301) is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one?
The InChIKey is CVOMAUKCVNNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-11-20-15-9-4-3-7-13(15)18(23,17(20)22)12-16(21)14-8-5-6-10-19-14/h2-10,23H,1,11-12H2.
What are the key properties of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one?
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-prop-2-enylindol-2-one is sourced from PubChem (CID 2945301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).