1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride

C18H17Cl3N2O — CID 155972674

IUPAC1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCl.O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C12CCNC2
InChIInChI=1S/C18H16Cl2N2O.ClH/c19-14-6-5-12(9-15(14)20)10-22-16-4-2-1-3-13(16)18(17(22)23)7-8-21-11-18;/h1-6,9,21H,7-8,10-11H2;1H
InChIKeyGCDGEMHRFZYYDI-UHFFFAOYSA-N
MW383.71 g/mol
LogP4.19
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride

1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride (PubChem CID 155972674) has the molecular formula C18H17Cl3N2O and a molecular weight of 383.71 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
PubChem CID155972674
Molecular FormulaC18H17Cl3N2O
Molecular Weight383.71 g/mol
Exact Mass382.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCl.O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C12CCNC2
InChIInChI=1S/C18H16Cl2N2O.ClH/c19-14-6-5-12(9-15(14)20)10-22-16-4-2-1-3-13(16)18(17(22)23)7-8-21-11-18;/h1-6,9,21H,7-8,10-11H2;1H
InChIKeyGCDGEMHRFZYYDI-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride (CID 155972674) is 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride is Cl.O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C12CCNC2.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The InChIKey is GCDGEMHRFZYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O.ClH/c19-14-6-5-12(9-15(14)20)10-22-16-4-2-1-3-13(16)18(17(22)23)7-8-21-11-18;/h1-6,9,21H,7-8,10-11H2;1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride?
1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride has a molecular weight of 383.71 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride is sourced from PubChem (CID 155972674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).