1-(3-methylazetidin-3-yl)ethenol

C6H11NO — CID 118185509

IUPAC1-(3-methylazetidin-3-yl)ethenol
SMILESC=C(O)C1(C)CNC1
InChIInChI=1S/C6H11NO/c1-5(8)6(2)3-7-4-6/h7-8H,1,3-4H2,2H3
InChIKeyCJPNGYURGPDYKP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.67
Rot. Bonds1

About 1-(3-methylazetidin-3-yl)ethenol

1-(3-methylazetidin-3-yl)ethenol (PubChem CID 118185509) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(3-methylazetidin-3-yl)ethenol.

Molecular Properties

Compound Name1-(3-methylazetidin-3-yl)ethenol
PubChem CID118185509
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(3-methylazetidin-3-yl)ethenol
SMILESC=C(O)C1(C)CNC1
InChIInChI=1S/C6H11NO/c1-5(8)6(2)3-7-4-6/h7-8H,1,3-4H2,2H3
InChIKeyCJPNGYURGPDYKP-UHFFFAOYSA-N
XLogP0.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylazetidin-3-yl)ethenol?
The IUPAC name of 1-(3-methylazetidin-3-yl)ethenol (CID 118185509) is 1-(3-methylazetidin-3-yl)ethenol.
What is the SMILES notation for 1-(3-methylazetidin-3-yl)ethenol?
The canonical SMILES for 1-(3-methylazetidin-3-yl)ethenol is C=C(O)C1(C)CNC1.
What is the InChIKey of 1-(3-methylazetidin-3-yl)ethenol?
The InChIKey is CJPNGYURGPDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)6(2)3-7-4-6/h7-8H,1,3-4H2,2H3.
What are the key properties of 1-(3-methylazetidin-3-yl)ethenol?
1-(3-methylazetidin-3-yl)ethenol has a molecular weight of 113.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylazetidin-3-yl)ethenol is sourced from PubChem (CID 118185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).