2-methyl-1,3-oxazolidine

C4H9NO — CID 544812

IUPAC2-methyl-1,3-oxazolidine
SMILESCC1NCCO1
InChIInChI=1S/C4H9NO/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3
InChIKeyGOPUCFKUFOFEIC-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.05
Rot. Bonds

About 2-methyl-1,3-oxazolidine

2-methyl-1,3-oxazolidine (PubChem CID 544812) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-1,3-oxazolidine
PubChem CID544812
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-methyl-1,3-oxazolidine
SMILESCC1NCCO1
InChIInChI=1S/C4H9NO/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3
InChIKeyGOPUCFKUFOFEIC-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazolidine?
The IUPAC name of 2-methyl-1,3-oxazolidine (CID 544812) is 2-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-1,3-oxazolidine is CC1NCCO1.
What is the InChIKey of 2-methyl-1,3-oxazolidine?
The InChIKey is GOPUCFKUFOFEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-oxazolidine?
2-methyl-1,3-oxazolidine has a molecular weight of 87.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazolidine is sourced from PubChem (CID 544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).