1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one

C14H16N4O — CID 141336919

IUPAC1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H16N4O/c19-14-7-4-8-17(14)9-10-18-11-13(15-16-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2
InChIKeyCROFIYXILNMGKJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one

1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 141336919) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID141336919
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H16N4O/c19-14-7-4-8-17(14)9-10-18-11-13(15-16-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2
InChIKeyCROFIYXILNMGKJ-UHFFFAOYSA-N
XLogP1.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one (CID 141336919) is 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is CROFIYXILNMGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14-7-4-8-17(14)9-10-18-11-13(15-16-18)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2.
What are the key properties of 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one?
1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenyltriazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141336919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).