(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C17H15ClN2O2 — CID 52905044

IUPAC(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H15ClN2O2/c18-12-9-10(5-6-14(12)21)15-17(7-8-19-15)11-3-1-2-4-13(11)20-16(17)22/h1-6,9,15,19,21H,7-8H2,(H,20,22)/t15-,17+/m1/s1
InChIKeyPXOBMSVOYCQXIQ-WBVHZDCISA-N
MW314.77 g/mol
LogP2.97
Rot. Bonds1

About (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52905044) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52905044
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H15ClN2O2/c18-12-9-10(5-6-14(12)21)15-17(7-8-19-15)11-3-1-2-4-13(11)20-16(17)22/h1-6,9,15,19,21H,7-8H2,(H,20,22)/t15-,17+/m1/s1
InChIKeyPXOBMSVOYCQXIQ-WBVHZDCISA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52994313
(2'R,3S)-2'-(3,4-dihydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905152
(2'S,3S)-2'-(3-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 51971151
(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905278
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905363
(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52899885
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52898950
2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 52994353
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394
2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile
CID 52900789
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52905044) is (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(O)c(Cl)c1.
What is the InChIKey of (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PXOBMSVOYCQXIQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-12-9-10(5-6-14(12)21)15-17(7-8-19-15)11-3-1-2-4-13(11)20-16(17)22/h1-6,9,15,19,21H,7-8H2,(H,20,22)/t15-,17+/m1/s1.
What are the key properties of (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 314.77 g/mol, XLogP of 2.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52905044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).