3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one

C18H15NO3 — CID 2898049

IUPAC3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
SMILESO=C(C=Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H15NO3/c20-14(11-10-13-6-2-1-3-7-13)12-18(22)15-8-4-5-9-16(15)19-17(18)21/h1-11,22H,12H2,(H,19,21)
InChIKeyMZINGTHCWKKIDW-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.50
Rot. Bonds4

About 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one

3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one (PubChem CID 2898049) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
PubChem CID2898049
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
SMILESO=C(C=Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H15NO3/c20-14(11-10-13-6-2-1-3-7-13)12-18(22)15-8-4-5-9-16(15)19-17(18)21/h1-11,22H,12H2,(H,19,21)
InChIKeyMZINGTHCWKKIDW-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-5-chloro-3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
CID 6957295
3-hydroxy-3-[(E)-2-oxohept-3-enyl]-1H-indol-2-one
CID 134155899
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
3-imino-2-[2-oxo-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-3-yl]prop-2-enenitrile
CID 164681180
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-propylindol-2-one
CID 4209086
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(Z)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 2364476
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-prop-2-ynylindol-2-one
CID 3677494
3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one
CID 44784660
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one (CID 2898049) is 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one is O=C(C=Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one?
The InChIKey is MZINGTHCWKKIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-14(11-10-13-6-2-1-3-7-13)12-18(22)15-8-4-5-9-16(15)19-17(18)21/h1-11,22H,12H2,(H,19,21).
What are the key properties of 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one?
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one has a molecular weight of 293.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one is sourced from PubChem (CID 2898049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).