(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol

C6H11NO2 — CID 70259523

IUPAC(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
SMILESC=C(O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-9H,1-3H2/t5-,6-/m0/s1
InChIKeyAKRFSHLLZQFBPZ-WDSKDSINSA-N
MW129.16 g/mol
LogP-0.22
Rot. Bonds1

About (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol

(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol (PubChem CID 70259523) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
PubChem CID70259523
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
SMILESC=C(O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-9H,1-3H2/t5-,6-/m0/s1
InChIKeyAKRFSHLLZQFBPZ-WDSKDSINSA-N
XLogP-0.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol (CID 70259523) is (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol is C=C(O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol?
The InChIKey is AKRFSHLLZQFBPZ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-9H,1-3H2/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol?
(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol has a molecular weight of 129.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol is sourced from PubChem (CID 70259523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).