1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one

C23H26N2O — CID 3746451

IUPAC—
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12CCNC21CCCCC1
InChIInChI=1S/C23H26N2O/c26-21-23(15-16-24-22(23)13-7-2-8-14-22)19-11-5-6-12-20(19)25(21)17-18-9-3-1-4-10-18/h1,3-6,9-12,24H,2,7-8,13-17H2
InChIKeyYTVJAYXPZVRGQR-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.17
Rot. Bonds2

About 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one

1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one (PubChem CID 3746451) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol.

Molecular Properties

Compound Name1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
PubChem CID3746451
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name—
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12CCNC21CCCCC1
InChIInChI=1S/C23H26N2O/c26-21-23(15-16-24-22(23)13-7-2-8-14-22)19-11-5-6-12-20(19)25(21)17-18-9-3-1-4-10-18/h1,3-6,9-12,24H,2,7-8,13-17H2
InChIKeyYTVJAYXPZVRGQR-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1''-benzyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3758975
1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 4267368
CID 44654608
CID 44654608
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(3S)-1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-3-hydroxyindol-2-one
CID 72697986
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
CID 102218446
CID 102218446
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430

Frequently Asked Questions

What is the IUPAC name of 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one?
The IUPAC name of 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one (CID 3746451) is not available.
What is the SMILES notation for 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one?
The canonical SMILES for 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one is O=C1N(Cc2ccccc2)c2ccccc2C12CCNC21CCCCC1.
What is the InChIKey of 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one?
The InChIKey is YTVJAYXPZVRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-21-23(15-16-24-22(23)13-7-2-8-14-22)19-11-5-6-12-20(19)25(21)17-18-9-3-1-4-10-18/h1,3-6,9-12,24H,2,7-8,13-17H2.
What are the key properties of 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one?
1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one has a molecular weight of 346.47 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one is sourced from PubChem (CID 3746451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).