(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol

C16H23NO — CID 10776787

IUPAC(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
SMILESC=CC[C@@H]1CC[C@@H](C)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO/c1-3-7-15-11-10-13(2)17(15)16(12-18)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3/t13-,15-,16-/m1/s1
InChIKeyZTIMPQLZVPZJMX-FVQBIDKESA-N
MW245.37 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol

(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol (PubChem CID 10776787) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
PubChem CID10776787
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
SMILESC=CC[C@@H]1CC[C@@H](C)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO/c1-3-7-15-11-10-13(2)17(15)16(12-18)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3/t13-,15-,16-/m1/s1
InChIKeyZTIMPQLZVPZJMX-FVQBIDKESA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
methyl 2-[(2S,5R)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-(2-methoxy-2-oxoethyl)pyrrolidin-2-yl]acetate
CID 101453198
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
tert-butyl 2-[(2S,5R)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]acetate
CID 101453201
(2S)-2-[(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidin-1-yl]-2-phenylethanol;hydrochloride
CID 44598298
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
CID 83220867
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
1-[(S)-[(2R,5S)-2-ethenyl-5-prop-2-enylpyrrolidin-1-yl]-phenylmethyl]naphthalen-2-ol
CID 53242721
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
(2R)-2-[(2R,5S)-2,5-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-1-yl]-2-phenylethanol
CID 71625811
(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enyl-3H-isoindol-1-one
CID 102240792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol (CID 10776787) is (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol is C=CC[C@@H]1CC[C@@H](C)N1[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol?
The InChIKey is ZTIMPQLZVPZJMX-FVQBIDKESA-N. The full InChI is InChI=1S/C16H23NO/c1-3-7-15-11-10-13(2)17(15)16(12-18)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3/t13-,15-,16-/m1/s1.
What are the key properties of (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol?
(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol has a molecular weight of 245.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10776787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).