2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C19H19N5O3 — CID 121190555

IUPAC2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H19N5O3/c25-17(11-23-18(26)14-3-1-2-4-15(14)19(23)27)22-8-7-13(9-22)24-10-16(20-21-24)12-5-6-12/h1-4,10,12-13H,5-9,11H2
InChIKeyLRLHYIFRHITYAK-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 121190555) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID121190555
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H19N5O3/c25-17(11-23-18(26)14-3-1-2-4-15(14)19(23)27)22-8-7-13(9-22)24-10-16(20-21-24)12-5-6-12/h1-4,10,12-13H,5-9,11H2
InChIKeyLRLHYIFRHITYAK-UHFFFAOYSA-N
XLogP1.23
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 121190624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 121190555) is 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is LRLHYIFRHITYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(11-23-18(26)14-3-1-2-4-15(14)19(23)27)22-8-7-13(9-22)24-10-16(20-21-24)12-5-6-12/h1-4,10,12-13H,5-9,11H2.
What are the key properties of 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 365.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 121190555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).