1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol

C11H19NO2 — CID 123174870

IUPAC1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol
SMILESC=C(C1CCOCC1)N1CCC(O)C1
InChIInChI=1S/C11H19NO2/c1-9(10-3-6-14-7-4-10)12-5-2-11(13)8-12/h10-11,13H,1-8H2
InChIKeyVOJARMZKHIPWMB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.99
Rot. Bonds2

About 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol

1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol (PubChem CID 123174870) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol
PubChem CID123174870
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol
SMILESC=C(C1CCOCC1)N1CCC(O)C1
InChIInChI=1S/C11H19NO2/c1-9(10-3-6-14-7-4-10)12-5-2-11(13)8-12/h10-11,13H,1-8H2
InChIKeyVOJARMZKHIPWMB-UHFFFAOYSA-N
XLogP0.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol
CID 91424840
5-(1-Aminoethenyl)-1-(oxan-4-ylmethyl)pyrrolidin-3-ol;ethane
CID 144023064
(3S)-1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol
CID 145592840
5-(1-Aminoethenyl)-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 144023065

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol (CID 123174870) is 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol is C=C(C1CCOCC1)N1CCC(O)C1.
What is the InChIKey of 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol?
The InChIKey is VOJARMZKHIPWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10-3-6-14-7-4-10)12-5-2-11(13)8-12/h10-11,13H,1-8H2.
What are the key properties of 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol?
1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol is sourced from PubChem (CID 123174870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).