[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C19H28N2O — CID 111781111

IUPAC[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C19H28N2O/c22-16-19-11-6-14-21(19)15-18-10-5-13-20(18)12-4-9-17-7-2-1-3-8-17/h1-4,7-9,18-19,22H,5-6,10-16H2/b9-4+
InChIKeyQBAFCYWJXIVHMS-RUDMXATFSA-N
MW300.45 g/mol
LogP2.62
Rot. Bonds6

About [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111781111) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111781111
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C19H28N2O/c22-16-19-11-6-14-21(19)15-18-10-5-13-20(18)12-4-9-17-7-2-1-3-8-17/h1-4,7-9,18-19,22H,5-6,10-16H2/b9-4+
InChIKeyQBAFCYWJXIVHMS-RUDMXATFSA-N
XLogP2.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
CID 171138106
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
CID 77439017
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 71379396
[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
CID 2845655
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[1-[[1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753162

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 111781111) is [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1C/C=C/c1ccccc1.
What is the InChIKey of [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is QBAFCYWJXIVHMS-RUDMXATFSA-N. The full InChI is InChI=1S/C19H28N2O/c22-16-19-11-6-14-21(19)15-18-10-5-13-20(18)12-4-9-17-7-2-1-3-8-17/h1-4,7-9,18-19,22H,5-6,10-16H2/b9-4+.
What are the key properties of [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 300.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111781111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).