(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H16F3N5O — CID 95317960

IUPAC(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)c1nnnn1[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3N5O/c1-10(2,3)9-15-16-17-19(9)7-4-5-18(8(7)20)6-11(12,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyLEOSJZWSKAKEAB-SSDOTTSWSA-N
MW291.28 g/mol
LogP1.31
Rot. Bonds2

About (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 95317960) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID95317960
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)c1nnnn1[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3N5O/c1-10(2,3)9-15-16-17-19(9)7-4-5-18(8(7)20)6-11(12,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyLEOSJZWSKAKEAB-SSDOTTSWSA-N
XLogP1.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 95317960) is (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(C)(C)c1nnnn1[C@@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is LEOSJZWSKAKEAB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-10(2,3)9-15-16-17-19(9)7-4-5-18(8(7)20)6-11(12,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 291.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-tert-butyltetrazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 95317960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).