3-methylazetidin-3-ol

C4H9NO — CID 11542782

IUPAC3-methylazetidin-3-ol
SMILESCC1(O)CNC1
InChIInChI=1S/C4H9NO/c1-4(6)2-5-3-4/h5-6H,2-3H2,1H3
InChIKeyLDLAEUFQUOXALI-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.66
Rot. Bonds

About 3-methylazetidin-3-ol

3-methylazetidin-3-ol (PubChem CID 11542782) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-methylazetidin-3-ol.

Molecular Properties

Compound Name3-methylazetidin-3-ol
PubChem CID11542782
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-methylazetidin-3-ol
SMILESCC1(O)CNC1
InChIInChI=1S/C4H9NO/c1-4(6)2-5-3-4/h5-6H,2-3H2,1H3
InChIKeyLDLAEUFQUOXALI-UHFFFAOYSA-N
XLogP-0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylazetidin-3-ol?
The IUPAC name of 3-methylazetidin-3-ol (CID 11542782) is 3-methylazetidin-3-ol.
What is the SMILES notation for 3-methylazetidin-3-ol?
The canonical SMILES for 3-methylazetidin-3-ol is CC1(O)CNC1.
What is the InChIKey of 3-methylazetidin-3-ol?
The InChIKey is LDLAEUFQUOXALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(6)2-5-3-4/h5-6H,2-3H2,1H3.
What are the key properties of 3-methylazetidin-3-ol?
3-methylazetidin-3-ol has a molecular weight of 87.12 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidin-3-ol is sourced from PubChem (CID 11542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).