(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol

C13H17NO2 — CID 163796317

IUPAC(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol
SMILESC=C(c1ccccc1)N1C[C@H](OC)[C@@H](O)C1
InChIInChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-8-12(15)13(9-14)16-2/h3-7,12-13,15H,1,8-9H2,2H3/t12-,13-/m0/s1
InChIKeyNBCDQGXMPCVIDE-STQMWFEESA-N
MW219.28 g/mol
LogP1.35
Rot. Bonds3

About (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol

(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol (PubChem CID 163796317) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol
PubChem CID163796317
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol
SMILESC=C(c1ccccc1)N1C[C@H](OC)[C@@H](O)C1
InChIInChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-8-12(15)13(9-14)16-2/h3-7,12-13,15H,1,8-9H2,2H3/t12-,13-/m0/s1
InChIKeyNBCDQGXMPCVIDE-STQMWFEESA-N
XLogP1.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol
CID 2734057
(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol
CID 7021491
N-benzyl-3-pyrrolidinol
CID 69889
rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
CID 536645
(S)-(-)-1-Benzyl-3-pyrrolidinol
CID 2733875
(3R,4R)-1-Benzyl-4-hydroxy-3-pyrrolidinemethanol
CID 11579361
N-Benzyl-1,4-dideoxy-1,4-imino-D-ribitol
CID 452007
N-Benzyl-1,4-dideoxy-1,4-imino-L-ribitol
CID 452010
(3R,4S)-1-benzylpyrrolidine-3,4-diol
CID 13320307
3-(Methyl(phenylmethyl)amino)-1,2-propanediol
CID 108434

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol (CID 163796317) is (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol is C=C(c1ccccc1)N1C[C@H](OC)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol?
The InChIKey is NBCDQGXMPCVIDE-STQMWFEESA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-8-12(15)13(9-14)16-2/h3-7,12-13,15H,1,8-9H2,2H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol?
(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol has a molecular weight of 219.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol is sourced from PubChem (CID 163796317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).