4,4-dimethyloxazetidine

C4H9NO — CID 91439369

IUPAC4,4-dimethyloxazetidine
SMILESCC1(C)CNO1
InChIInChI=1S/C4H9NO/c1-4(2)3-5-6-4/h5H,3H2,1-2H3
InChIKeyPOODLGOWROARDA-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.30
Rot. Bonds

About 4,4-dimethyloxazetidine

4,4-dimethyloxazetidine (PubChem CID 91439369) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 4,4-dimethyloxazetidine.

Molecular Properties

Compound Name4,4-dimethyloxazetidine
PubChem CID91439369
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name4,4-dimethyloxazetidine
SMILESCC1(C)CNO1
InChIInChI=1S/C4H9NO/c1-4(2)3-5-6-4/h5H,3H2,1-2H3
InChIKeyPOODLGOWROARDA-UHFFFAOYSA-N
XLogP0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyloxazetidine?
The IUPAC name of 4,4-dimethyloxazetidine (CID 91439369) is 4,4-dimethyloxazetidine.
What is the SMILES notation for 4,4-dimethyloxazetidine?
The canonical SMILES for 4,4-dimethyloxazetidine is CC1(C)CNO1.
What is the InChIKey of 4,4-dimethyloxazetidine?
The InChIKey is POODLGOWROARDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(2)3-5-6-4/h5H,3H2,1-2H3.
What are the key properties of 4,4-dimethyloxazetidine?
4,4-dimethyloxazetidine has a molecular weight of 87.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyloxazetidine is sourced from PubChem (CID 91439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).