2,2-dimethyl-1,3-oxazolidine

C5H11NO — CID 550697

IUPAC2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)NCCO1
InChIInChI=1S/C5H11NO/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
InChIKeyVSHIRTNKIXRXMI-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.34
Rot. Bonds

About 2,2-dimethyl-1,3-oxazolidine

2,2-dimethyl-1,3-oxazolidine (PubChem CID 550697) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxazolidine
PubChem CID550697
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)NCCO1
InChIInChI=1S/C5H11NO/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
InChIKeyVSHIRTNKIXRXMI-UHFFFAOYSA-N
XLogP0.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 2,2-dimethyl-1,3-oxazolidine (CID 550697) is 2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2,2-dimethyl-1,3-oxazolidine is CC1(C)NCCO1.
What is the InChIKey of 2,2-dimethyl-1,3-oxazolidine?
The InChIKey is VSHIRTNKIXRXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-oxazolidine?
2,2-dimethyl-1,3-oxazolidine has a molecular weight of 101.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 550697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).