(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol

C13H17NO — CID 129494089

IUPAC(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
SMILESC=Cc1ccc(CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H17NO/c1-2-11-3-5-12(6-4-11)9-14-8-7-13(15)10-14/h2-6,13,15H,1,7-10H2/t13-/m1/s1
InChIKeySHLQFAHFMZYDJE-CYBMUJFWSA-N
MW203.29 g/mol
LogP1.90
Rot. Bonds3

About (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 129494089) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
PubChem CID129494089
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
SMILESC=Cc1ccc(CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H17NO/c1-2-11-3-5-12(6-4-11)9-14-8-7-13(15)10-14/h2-6,13,15H,1,7-10H2/t13-/m1/s1
InChIKeySHLQFAHFMZYDJE-CYBMUJFWSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 62942831
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol
CID 103881965

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol (CID 129494089) is (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol is C=Cc1ccc(CN2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is SHLQFAHFMZYDJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-11-3-5-12(6-4-11)9-14-8-7-13(15)10-14/h2-6,13,15H,1,7-10H2/t13-/m1/s1.
What are the key properties of (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129494089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).