(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one

C14H17NO3 — CID 9177418

IUPAC(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)[C@](O)(C[C@@H](C)O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-3-8-15-12-7-5-4-6-11(12)14(18,13(15)17)9-10(2)16/h3-7,10,16,18H,1,8-9H2,2H3/t10-,14+/m1/s1
InChIKeyBNWPSZNIZOBMKM-YGRLFVJLSA-N
MW247.29 g/mol
LogP1.18
Rot. Bonds4

About (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one

(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one (PubChem CID 9177418) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
PubChem CID9177418
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)[C@](O)(C[C@@H](C)O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-3-8-15-12-7-5-4-6-11(12)14(18,13(15)17)9-10(2)16/h3-7,10,16,18H,1,8-9H2,2H3/t10-,14+/m1/s1
InChIKeyBNWPSZNIZOBMKM-YGRLFVJLSA-N
XLogP1.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
(3S)-1-hexyl-3-hydroxy-3-[(2S)-2-hydroxypropyl]indol-2-one
CID 9177416
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
(3R)-3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 1255540
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-prop-2-enylindol-2-one
CID 2945096
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2968130
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 2924926
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one (CID 9177418) is (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one is C=CCN1C(=O)[C@](O)(C[C@@H](C)O)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one?
The InChIKey is BNWPSZNIZOBMKM-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-8-15-12-7-5-4-6-11(12)14(18,13(15)17)9-10(2)16/h3-7,10,16,18H,1,8-9H2,2H3/t10-,14+/m1/s1.
What are the key properties of (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one?
(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one is sourced from PubChem (CID 9177418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).