ethane;1,2-oxazolidine

C9H25NO — CID 91159922

IUPACethane;1,2-oxazolidine
SMILESC1CNOC1.CC.CC.CC
InChIInChI=1S/C3H7NO.3C2H6/c1-2-4-5-3-1;3*1-2/h4H,1-3H2;3*1-2H3
InChIKeyRSELBEVQAFPDFA-UHFFFAOYSA-N
MW163.30 g/mol
LogP2.99
Rot. Bonds

About ethane;1,2-oxazolidine

ethane;1,2-oxazolidine (PubChem CID 91159922) has the molecular formula C9H25NO and a molecular weight of 163.30 g/mol. Its IUPAC name is ethane;1,2-oxazolidine.

Molecular Properties

Compound Nameethane;1,2-oxazolidine
PubChem CID91159922
Molecular FormulaC9H25NO
Molecular Weight163.30 g/mol
Exact Mass163.19
IUPAC Nameethane;1,2-oxazolidine
SMILESC1CNOC1.CC.CC.CC
InChIInChI=1S/C3H7NO.3C2H6/c1-2-4-5-3-1;3*1-2/h4H,1-3H2;3*1-2H3
InChIKeyRSELBEVQAFPDFA-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2-oxazolidine?
The IUPAC name of ethane;1,2-oxazolidine (CID 91159922) is ethane;1,2-oxazolidine.
What is the SMILES notation for ethane;1,2-oxazolidine?
The canonical SMILES for ethane;1,2-oxazolidine is C1CNOC1.CC.CC.CC.
What is the InChIKey of ethane;1,2-oxazolidine?
The InChIKey is RSELBEVQAFPDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.3C2H6/c1-2-4-5-3-1;3*1-2/h4H,1-3H2;3*1-2H3.
What are the key properties of ethane;1,2-oxazolidine?
ethane;1,2-oxazolidine has a molecular weight of 163.30 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2-oxazolidine is sourced from PubChem (CID 91159922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).