5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C18H19N5OS — CID 53300751

IUPAC5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C18H19N5OS/c1-18(10-9-16(24)22(18)13-15-8-5-11-25-15)17-19-20-21-23(17)12-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeySKPDFFWTGHLEGA-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.82
Rot. Bonds5

About 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 53300751) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID53300751
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C18H19N5OS/c1-18(10-9-16(24)22(18)13-15-8-5-11-25-15)17-19-20-21-23(17)12-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeySKPDFFWTGHLEGA-UHFFFAOYSA-N
XLogP2.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 53300751) is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is SKPDFFWTGHLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-18(10-9-16(24)22(18)13-15-8-5-11-25-15)17-19-20-21-23(17)12-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 353.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 53300751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).