(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one

C15H19NO2 — CID 11357004

IUPAC(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-6-13-9-10-15(18)16(13)14(11-17)12-7-4-3-5-8-12/h2-5,7-8,13-14,17H,1,6,9-11H2/t13-,14-/m1/s1
InChIKeyHEBONCBHVCESRX-ZIAGYGMSSA-N
MW245.32 g/mol
LogP2.29
Rot. Bonds5

About (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one

(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one (PubChem CID 11357004) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
PubChem CID11357004
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-6-13-9-10-15(18)16(13)14(11-17)12-7-4-3-5-8-12/h2-5,7-8,13-14,17H,1,6,9-11H2/t13-,14-/m1/s1
InChIKeyHEBONCBHVCESRX-ZIAGYGMSSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.29
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)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
CID 10776787
(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
CID 53349746
(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
CID 174483543
(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enyl-3H-isoindol-1-one
CID 102240792
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
(5S,6S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-6-(1H-indol-3-yl)piperidin-2-one
CID 102254926
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
methyl (2R,3S)-2-(benzylcarbamoyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxopiperidine-3-carboxylate
CID 71567821
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251
(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
CID 68928206

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one (CID 11357004) is (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one is C=CC[C@@H]1CCC(=O)N1[C@H](CO)c1ccccc1.
What is the InChIKey of (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is HEBONCBHVCESRX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-6-13-9-10-15(18)16(13)14(11-17)12-7-4-3-5-8-12/h2-5,7-8,13-14,17H,1,6,9-11H2/t13-,14-/m1/s1.
What are the key properties of (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one?
(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 11357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).