(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol

C8H15NO2 — CID 79419761

IUPAC(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
SMILESC=CC(C)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H15NO2/c1-3-6(2)9-4-7(10)8(11)5-9/h3,6-8,10-11H,1,4-5H2,2H3/t6?,7-,8+
InChIKeyBVFPMACNOBKBNL-IEESLHIDSA-N
MW157.21 g/mol
LogP-0.40
Rot. Bonds2

About (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol

(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol (PubChem CID 79419761) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
PubChem CID79419761
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
SMILESC=CC(C)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H15NO2/c1-3-6(2)9-4-7(10)8(11)5-9/h3,6-8,10-11H,1,4-5H2,2H3/t6?,7-,8+
InChIKeyBVFPMACNOBKBNL-IEESLHIDSA-N
XLogP-0.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol (CID 79419761) is (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol is C=CC(C)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol?
The InChIKey is BVFPMACNOBKBNL-IEESLHIDSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6(2)9-4-7(10)8(11)5-9/h3,6-8,10-11H,1,4-5H2,2H3/t6?,7-,8+.
What are the key properties of (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol?
(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol has a molecular weight of 157.21 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 79419761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).