3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one

C20H21NO2 — CID 30334

IUPAC3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-3-13-20(14-15(2)22)17-11-7-8-12-18(17)21(19(20)23)16-9-5-4-6-10-16/h3-12,15,22H,1,13-14H2,2H3
InChIKeyBBHXFCQKDKPQFH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.95
Rot. Bonds5

About 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one

3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one (PubChem CID 30334) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one
PubChem CID30334
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-3-13-20(14-15(2)22)17-11-7-8-12-18(17)21(19(20)23)16-9-5-4-6-10-16/h3-12,15,22H,1,13-14H2,2H3
InChIKeyBBHXFCQKDKPQFH-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one (CID 30334) is 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one is C=CCC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one?
The InChIKey is BBHXFCQKDKPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-13-20(14-15(2)22)17-11-7-8-12-18(17)21(19(20)23)16-9-5-4-6-10-16/h3-12,15,22H,1,13-14H2,2H3.
What are the key properties of 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one?
3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 30334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).