3-(azetidin-3-yl)prop-1-en-2-ol

C6H11NO — CID 118544748

IUPAC3-(azetidin-3-yl)prop-1-en-2-ol
SMILESC=C(O)CC1CNC1
InChIInChI=1S/C6H11NO/c1-5(8)2-6-3-7-4-6/h6-8H,1-4H2
InChIKeyROILLWHAIJXEMK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.67
Rot. Bonds2

About 3-(azetidin-3-yl)prop-1-en-2-ol

3-(azetidin-3-yl)prop-1-en-2-ol (PubChem CID 118544748) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(azetidin-3-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(azetidin-3-yl)prop-1-en-2-ol
PubChem CID118544748
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-(azetidin-3-yl)prop-1-en-2-ol
SMILESC=C(O)CC1CNC1
InChIInChI=1S/C6H11NO/c1-5(8)2-6-3-7-4-6/h6-8H,1-4H2
InChIKeyROILLWHAIJXEMK-UHFFFAOYSA-N
XLogP0.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Azetidin-3-yl)-3-methylbut-1-en-2-ol
CID 118544751
5-(Ethylamino)-3-methylpent-1-en-2-ol
CID 144765302
1-(Azetidin-3-yl)ethenol
CID 144905123
5-(3-Methylbutylamino)pent-1-en-2-ol
CID 156480566
4-(Azetidin-3-yl)but-1-en-2-ol
CID 176931147

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)prop-1-en-2-ol?
The IUPAC name of 3-(azetidin-3-yl)prop-1-en-2-ol (CID 118544748) is 3-(azetidin-3-yl)prop-1-en-2-ol.
What is the SMILES notation for 3-(azetidin-3-yl)prop-1-en-2-ol?
The canonical SMILES for 3-(azetidin-3-yl)prop-1-en-2-ol is C=C(O)CC1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)prop-1-en-2-ol?
The InChIKey is ROILLWHAIJXEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)2-6-3-7-4-6/h6-8H,1-4H2.
What are the key properties of 3-(azetidin-3-yl)prop-1-en-2-ol?
3-(azetidin-3-yl)prop-1-en-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)prop-1-en-2-ol is sourced from PubChem (CID 118544748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).