(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C18H18N2O2 — CID 7032098

IUPAC(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@]2(CCN[C@@H]2c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-20-15-5-3-2-4-14(15)18(17(20)22)10-11-19-16(18)12-6-8-13(21)9-7-12/h2-9,16,19,21H,10-11H2,1H3/t16-,18-/m1/s1
InChIKeyJWEFIUOAMDDLAK-SJLPKXTDSA-N
MW294.35 g/mol
LogP2.34
Rot. Bonds1

About (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 7032098) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID7032098
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@]2(CCN[C@@H]2c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-20-15-5-3-2-4-14(15)18(17(20)22)10-11-19-16(18)12-6-8-13(21)9-7-12/h2-9,16,19,21H,10-11H2,1H3/t16-,18-/m1/s1
InChIKeyJWEFIUOAMDDLAK-SJLPKXTDSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(2'R,3S)-2'-(3,4-dihydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905152
(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52899885
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905044
2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52994313
(1R,2S)-2-(3-iodo-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 58486280
3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
CID 177493075
1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 4267368

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 7032098) is (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)[C@]2(CCN[C@@H]2c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is JWEFIUOAMDDLAK-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-15-5-3-2-4-14(15)18(17(20)22)10-11-19-16(18)12-6-8-13(21)9-7-12/h2-9,16,19,21H,10-11H2,1H3/t16-,18-/m1/s1.
What are the key properties of (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 7032098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).