(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one

C19H24N4O2 — CID 120949960

IUPAC(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one
SMILESO=C(CC/C=C/c1ccccc1)N1CCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C19H24N4O2/c24-15-17-13-22(21-20-17)14-18-10-6-12-23(18)19(25)11-5-4-9-16-7-2-1-3-8-16/h1-4,7-9,13,18,24H,5-6,10-12,14-15H2/b9-4+/t18-/m0/s1
InChIKeyTYZPLWZNSIELGM-URPWPPKMSA-N
MW340.43 g/mol
LogP2.26
Rot. Bonds7

About (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one

(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one (PubChem CID 120949960) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one
PubChem CID120949960
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one
SMILESO=C(CC/C=C/c1ccccc1)N1CCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C19H24N4O2/c24-15-17-13-22(21-20-17)14-18-10-6-12-23(18)19(25)11-5-4-9-16-7-2-1-3-8-16/h1-4,7-9,13,18,24H,5-6,10-12,14-15H2/b9-4+/t18-/m0/s1
InChIKeyTYZPLWZNSIELGM-URPWPPKMSA-N
XLogP2.26
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 167906141
1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
CID 120949954
2-(4-fluorophenoxy)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 120949932
[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120949956
1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 167772746
(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
6-(4-aminophenyl)-1-[(2R)-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]hexane-1,4-dione
CID 159881607
[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 120949941
[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493695
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121208743
1-[(E)-5-phenylpent-4-enoyl]piperidine-4-carboxamide
CID 119137406

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one?
The IUPAC name of (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one (CID 120949960) is (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one?
The canonical SMILES for (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one is O=C(CC/C=C/c1ccccc1)N1CCC[C@H]1Cn1cc(CO)nn1.
What is the InChIKey of (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one?
The InChIKey is TYZPLWZNSIELGM-URPWPPKMSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-15-17-13-22(21-20-17)14-18-10-6-12-23(18)19(25)11-5-4-9-16-7-2-1-3-8-16/h1-4,7-9,13,18,24H,5-6,10-12,14-15H2/b9-4+/t18-/m0/s1.
What are the key properties of (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one?
(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-5-phenylpent-4-en-1-one is sourced from PubChem (CID 120949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).