(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one

C25H23NO — CID 102179958

IUPAC(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO/c1-2-17-25(18-20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(24(25)27)19-21-13-7-4-8-14-21/h2-16H,1,17-19H2/t25-/m1/s1
InChIKeyFGQKJPLDBRJXOB-RUZDIDTESA-N
MW353.47 g/mol
LogP5.29
Rot. Bonds6

About (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one

(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one (PubChem CID 102179958) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
PubChem CID102179958
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO/c1-2-17-25(18-20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(24(25)27)19-21-13-7-4-8-14-21/h2-16H,1,17-19H2/t25-/m1/s1
InChIKeyFGQKJPLDBRJXOB-RUZDIDTESA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
1-benzyl-3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 86616586
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
3-benzoyl-1-benzyl-5-tert-butyl-3-prop-2-enylindol-2-one
CID 164667931
2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
CID 68572707

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one?
The IUPAC name of (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one (CID 102179958) is (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one?
The canonical SMILES for (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one is C=CC[C@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one?
The InChIKey is FGQKJPLDBRJXOB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23NO/c1-2-17-25(18-20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(24(25)27)19-21-13-7-4-8-14-21/h2-16H,1,17-19H2/t25-/m1/s1.
What are the key properties of (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one?
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one has a molecular weight of 353.47 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 102179958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).