3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one

C19H17NO3 — CID 651977

IUPAC3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-2-12-20-16-11-7-6-10-15(16)19(23,18(20)22)13-17(21)14-8-4-3-5-9-14/h2-11,23H,1,12-13H2
InChIKeyQAQBAPIQYPTZTH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.68
Rot. Bonds5

About 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one

3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one (PubChem CID 651977) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
PubChem CID651977
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-2-12-20-16-11-7-6-10-15(16)19(23,18(20)22)13-17(21)14-8-4-3-5-9-14/h2-11,23H,1,12-13H2
InChIKeyQAQBAPIQYPTZTH-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenacyl-1-prop-2-enylindol-2-one?
The IUPAC name of 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one (CID 651977) is 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one?
The canonical SMILES for 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one?
The InChIKey is QAQBAPIQYPTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-12-20-16-11-7-6-10-15(16)19(23,18(20)22)13-17(21)14-8-4-3-5-9-14/h2-11,23H,1,12-13H2.
What are the key properties of 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one?
3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one is sourced from PubChem (CID 651977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).