2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

C20H23ClN2O4 — CID 52994353

IUPAC2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCOc1cc(C2NCCC23C(=O)Nc2ccccc23)cc(OC)c1OC.Cl
InChIInChI=1S/C20H22N2O4.ClH/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-20(8-9-21-18)13-6-4-5-7-14(13)22-19(20)23;/h4-7,10-11,18,21H,8-9H2,1-3H3,(H,22,23);1H
InChIKeyQSURVOCORQCLRC-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.06
Rot. Bonds4

About 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (PubChem CID 52994353) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.

Molecular Properties

Compound Name2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
PubChem CID52994353
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCOc1cc(C2NCCC23C(=O)Nc2ccccc23)cc(OC)c1OC.Cl
InChIInChI=1S/C20H22N2O4.ClH/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-20(8-9-21-18)13-6-4-5-7-14(13)22-19(20)23;/h4-7,10-11,18,21H,8-9H2,1-3H3,(H,22,23);1H
InChIKeyQSURVOCORQCLRC-UHFFFAOYSA-N
XLogP3.06
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The IUPAC name of 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (CID 52994353) is 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.
What is the SMILES notation for 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The canonical SMILES for 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is COc1cc(C2NCCC23C(=O)Nc2ccccc23)cc(OC)c1OC.Cl.
What is the InChIKey of 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The InChIKey is QSURVOCORQCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4.ClH/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-20(8-9-21-18)13-6-4-5-7-14(13)22-19(20)23;/h4-7,10-11,18,21H,8-9H2,1-3H3,(H,22,23);1H.
What are the key properties of 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is sourced from PubChem (CID 52994353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).