1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C19H26N4O — CID 128978687

IUPAC1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESC/C(=C\c1ccccc1)CN1CCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)23-13-18(20-21-23)19(24)9-10-22(14-19)12-16(3)11-17-7-5-4-6-8-17/h4-8,11,13,15,24H,9-10,12,14H2,1-3H3/b16-11+
InChIKeyOYFHVWPXSIJLPK-LFIBNONCSA-N
MW326.44 g/mol
LogP2.86
Rot. Bonds5

About 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 128978687) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID128978687
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESC/C(=C\c1ccccc1)CN1CCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)23-13-18(20-21-23)19(24)9-10-22(14-19)12-16(3)11-17-7-5-4-6-8-17/h4-8,11,13,15,24H,9-10,12,14H2,1-3H3/b16-11+
InChIKeyOYFHVWPXSIJLPK-LFIBNONCSA-N
XLogP2.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide
CID 128981193
1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128978796
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129486181
1-[(5-chloro-2-fluorophenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756770
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482534
1-(imidazo[1,2-a]pyridin-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756773
(3R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129485493
(3S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129485492
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 129484052
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979150

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 128978687) is 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is C/C(=C\c1ccccc1)CN1CCC(O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is OYFHVWPXSIJLPK-LFIBNONCSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)23-13-18(20-21-23)19(24)9-10-22(14-19)12-16(3)11-17-7-5-4-6-8-17/h4-8,11,13,15,24H,9-10,12,14H2,1-3H3/b16-11+.
What are the key properties of 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128978687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).