5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one

C23H24N6O — CID 53300793

IUPAC5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N6O/c1-23(22-25-26-27-29(22)16-17-7-3-2-4-8-17)13-11-21(30)28(23)14-12-18-15-24-20-10-6-5-9-19(18)20/h2-10,15,24H,11-14,16H2,1H3
InChIKeyKFPVGEKABDZAGR-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.28
Rot. Bonds6

About 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one (PubChem CID 53300793) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one
PubChem CID53300793
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N6O/c1-23(22-25-26-27-29(22)16-17-7-3-2-4-8-17)13-11-21(30)28(23)14-12-18-15-24-20-10-6-5-9-19(18)20/h2-10,15,24H,11-14,16H2,1H3
InChIKeyKFPVGEKABDZAGR-UHFFFAOYSA-N
XLogP3.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one (CID 53300793) is 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one?
The InChIKey is KFPVGEKABDZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-23(22-25-26-27-29(22)16-17-7-3-2-4-8-17)13-11-21(30)28(23)14-12-18-15-24-20-10-6-5-9-19(18)20/h2-10,15,24H,11-14,16H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one has a molecular weight of 400.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-1-[2-(1H-indol-3-yl)ethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).