5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H16F3N5O — CID 53300795

IUPAC5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C15H16F3N5O/c1-14(8-7-12(24)22(14)10-15(16,17)18)13-19-20-21-23(13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyQPDAJEVIDJKFRS-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.12
Rot. Bonds4

About 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 53300795) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID53300795
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C15H16F3N5O/c1-14(8-7-12(24)22(14)10-15(16,17)18)13-19-20-21-23(13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyQPDAJEVIDJKFRS-UHFFFAOYSA-N
XLogP2.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 53300795) is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC(F)(F)F.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is QPDAJEVIDJKFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-14(8-7-12(24)22(14)10-15(16,17)18)13-19-20-21-23(13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 53300795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).