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

C19H20N2O3 — CID 52905363

IUPAC(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-15-8-7-12(11-16(15)24-2)17-19(9-10-20-17)13-5-3-4-6-14(13)21-18(19)22/h3-8,11,17,20H,9-10H2,1-2H3,(H,21,22)/t17-,19-/m1/s1
InChIKeyKKIIZKHKYNCWEI-IEBWSBKVSA-N
MW324.38 g/mol
LogP2.63
Rot. Bonds3

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

(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52905363) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52905363
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-15-8-7-12(11-16(15)24-2)17-19(9-10-20-17)13-5-3-4-6-14(13)21-18(19)22/h3-8,11,17,20H,9-10H2,1-2H3,(H,21,22)/t17-,19-/m1/s1
InChIKeyKKIIZKHKYNCWEI-IEBWSBKVSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52905363) is (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1OC.
What is the InChIKey of (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KKIIZKHKYNCWEI-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-15-8-7-12(11-16(15)24-2)17-19(9-10-20-17)13-5-3-4-6-14(13)21-18(19)22/h3-8,11,17,20H,9-10H2,1-2H3,(H,21,22)/t17-,19-/m1/s1.
What are the key properties of (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52905363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).