3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one

C24H20N2O3 — CID 5293403

IUPAC3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C24H20N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-15,29H,16-17H2/b11-8+
InChIKeyIVCZCDMLHJBZKC-DHZHZOJOSA-N
MW384.44 g/mol
LogP3.60
Rot. Bonds6

About 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one

3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one (PubChem CID 5293403) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
PubChem CID5293403
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C24H20N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-15,29H,16-17H2/b11-8+
InChIKeyIVCZCDMLHJBZKC-DHZHZOJOSA-N
XLogP3.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one (CID 5293403) is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one is O=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccn1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The InChIKey is IVCZCDMLHJBZKC-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-22(20-13-6-7-15-25-20)17-24(29)19-12-4-5-14-21(19)26(23(24)28)16-8-11-18-9-2-1-3-10-18/h1-15,29H,16-17H2/b11-8+.
What are the key properties of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.60, 6 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-[(E)-3-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 5293403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).