[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol

C14H17NO — CID 62339387

IUPAC[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC#Cc1ccccc1
InChIInChI=1S/C14H17NO/c16-12-14-9-5-11-15(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,5,9-12H2
InChIKeyQMWZYPXWUNBAPE-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.49
Rot. Bonds2

About [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol

[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol (PubChem CID 62339387) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol
PubChem CID62339387
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC#Cc1ccccc1
InChIInChI=1S/C14H17NO/c16-12-14-9-5-11-15(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,5,9-12H2
InChIKeyQMWZYPXWUNBAPE-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
CID 111825476
1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62339543
2-[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543803
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]azepan-2-yl]methanol
CID 116637178
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
CID 101393786
2-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol (CID 62339387) is [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CC#Cc1ccccc1.
What is the InChIKey of [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol?
The InChIKey is QMWZYPXWUNBAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-12-14-9-5-11-15(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,5,9-12H2.
What are the key properties of [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol?
[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol has a molecular weight of 215.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62339387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).