1-(azetidin-3-yl)ethenol

C5H9NO — CID 144905123

IUPAC1-(azetidin-3-yl)ethenol
SMILESC=C(O)C1CNC1
InChIInChI=1S/C5H9NO/c1-4(7)5-2-6-3-5/h5-7H,1-3H2
InChIKeyBYNCMRVOOAGSAY-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.28
Rot. Bonds1

About 1-(azetidin-3-yl)ethenol

1-(azetidin-3-yl)ethenol (PubChem CID 144905123) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(azetidin-3-yl)ethenol.

Molecular Properties

Compound Name1-(azetidin-3-yl)ethenol
PubChem CID144905123
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(azetidin-3-yl)ethenol
SMILESC=C(O)C1CNC1
InChIInChI=1S/C5H9NO/c1-4(7)5-2-6-3-5/h5-7H,1-3H2
InChIKeyBYNCMRVOOAGSAY-UHFFFAOYSA-N
XLogP0.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.28
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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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)ethenol?
The IUPAC name of 1-(azetidin-3-yl)ethenol (CID 144905123) is 1-(azetidin-3-yl)ethenol.
What is the SMILES notation for 1-(azetidin-3-yl)ethenol?
The canonical SMILES for 1-(azetidin-3-yl)ethenol is C=C(O)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)ethenol?
The InChIKey is BYNCMRVOOAGSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(7)5-2-6-3-5/h5-7H,1-3H2.
What are the key properties of 1-(azetidin-3-yl)ethenol?
1-(azetidin-3-yl)ethenol has a molecular weight of 99.13 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)ethenol is sourced from PubChem (CID 144905123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).