3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one

C11H17N5O — CID 113413278

IUPAC3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCn1ccnn1
InChIInChI=1S/C11H17N5O/c17-11-10(13-9-1-2-9)3-5-15(11)7-8-16-6-4-12-14-16/h4,6,9-10,13H,1-3,5,7-8H2
InChIKeyOBMFIVFMFVVRQP-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.37
Rot. Bonds5

About 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one

3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 113413278) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID113413278
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCn1ccnn1
InChIInChI=1S/C11H17N5O/c17-11-10(13-9-1-2-9)3-5-15(11)7-8-16-6-4-12-14-16/h4,6,9-10,13H,1-3,5,7-8H2
InChIKeyOBMFIVFMFVVRQP-UHFFFAOYSA-N
XLogP-0.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one (CID 113413278) is 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one is O=C1C(NC2CC2)CCN1CCn1ccnn1.
What is the InChIKey of 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is OBMFIVFMFVVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11-10(13-9-1-2-9)3-5-15(11)7-8-16-6-4-12-14-16/h4,6,9-10,13H,1-3,5,7-8H2.
What are the key properties of 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one?
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 113413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).