(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol

C13H17NO2 — CID 11009473

IUPAC(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol
SMILESC=C[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-11-13(16)12(15)9-14(11)8-10-6-4-3-5-7-10/h2-7,11-13,15-16H,1,8-9H2/t11-,12-,13-/m1/s1
InChIKeyVPPBWKFVMFNCNP-JHJVBQTASA-N
MW219.28 g/mol
LogP0.78
Rot. Bonds3

About (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol

(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol (PubChem CID 11009473) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol
PubChem CID11009473
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol
SMILESC=C[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-11-13(16)12(15)9-14(11)8-10-6-4-3-5-7-10/h2-7,11-13,15-16H,1,8-9H2/t11-,12-,13-/m1/s1
InChIKeyVPPBWKFVMFNCNP-JHJVBQTASA-N
XLogP0.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
(2R,3R,4S)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11425273
1-Benzylpiperidin-3-ol
CID 85773
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
Preussin I
CID 145964355
2-Aziridinemethanol, 1-(phenylmethyl)-
CID 3047321
(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
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol (CID 11009473) is (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol is C=C[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccccc1.
What is the InChIKey of (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol?
The InChIKey is VPPBWKFVMFNCNP-JHJVBQTASA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-11-13(16)12(15)9-14(11)8-10-6-4-3-5-7-10/h2-7,11-13,15-16H,1,8-9H2/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol?
(2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol has a molecular weight of 219.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-benzyl-2-ethenylpyrrolidine-3,4-diol is sourced from PubChem (CID 11009473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).