3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one

C19H14N2O2 — CID 974921

IUPAC3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-2-11-21-15-10-6-4-8-13(15)17(19(21)23)16-12-7-3-5-9-14(12)20-18(16)22/h2-10,23H,1,11H2
InChIKeyDBGVQTITFOESHE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one

3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one (PubChem CID 974921) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one
PubChem CID974921
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-2-11-21-15-10-6-4-8-13(15)17(19(21)23)16-12-7-3-5-9-14(12)20-18(16)22/h2-10,23H,1,11H2
InChIKeyDBGVQTITFOESHE-UHFFFAOYSA-N
XLogP1.89
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.89
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-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one?
The IUPAC name of 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one (CID 974921) is 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one.
What is the SMILES notation for 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one?
The canonical SMILES for 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)c2ccccc21.
What is the InChIKey of 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one?
The InChIKey is DBGVQTITFOESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-2-11-21-15-10-6-4-8-13(15)17(19(21)23)16-12-7-3-5-9-14(12)20-18(16)22/h2-10,23H,1,11H2.
What are the key properties of 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one?
3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one has a molecular weight of 302.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-1-prop-2-enylindol-3-yl)indol-2-one is sourced from PubChem (CID 974921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).