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

C17H15ClN2O2 — CID 52994313

IUPAC2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCNC2c1ccc(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)
InChIKeyPXOBMSVOYCQXIQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.97
Rot. Bonds1

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

2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52994313) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52994313
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCNC2c1ccc(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)
InChIKeyPXOBMSVOYCQXIQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52994313) is 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C12CCNC2c1ccc(O)c(Cl)c1.
What is the InChIKey of 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PXOBMSVOYCQXIQ-UHFFFAOYSA-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).
What are the key properties of 2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
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'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52994313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).