ethane;2-methyl-1,2-oxazolidine

C6H15NO — CID 91415965

IUPACethane;2-methyl-1,2-oxazolidine
SMILESCC.CN1CCCO1
InChIInChI=1S/C4H9NO.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyBJDUGGDECMGPSR-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.28
Rot. Bonds

About ethane;2-methyl-1,2-oxazolidine

ethane;2-methyl-1,2-oxazolidine (PubChem CID 91415965) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is ethane;2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Nameethane;2-methyl-1,2-oxazolidine
PubChem CID91415965
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameethane;2-methyl-1,2-oxazolidine
SMILESCC.CN1CCCO1
InChIInChI=1S/C4H9NO.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyBJDUGGDECMGPSR-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,2-oxazolidine?
The IUPAC name of ethane;2-methyl-1,2-oxazolidine (CID 91415965) is ethane;2-methyl-1,2-oxazolidine.
What is the SMILES notation for ethane;2-methyl-1,2-oxazolidine?
The canonical SMILES for ethane;2-methyl-1,2-oxazolidine is CC.CN1CCCO1.
What is the InChIKey of ethane;2-methyl-1,2-oxazolidine?
The InChIKey is BJDUGGDECMGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,2-oxazolidine?
ethane;2-methyl-1,2-oxazolidine has a molecular weight of 117.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,2-oxazolidine is sourced from PubChem (CID 91415965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).