ethane;3-methyl-1,3-oxazolidin-2-one;propane

C11H27NO2 — CID 54451536

IUPACethane;3-methyl-1,3-oxazolidin-2-one;propane
SMILESCC.CC.CCC.CN1CCOC1=O
InChIInChI=1S/C4H7NO2.C3H8.2C2H6/c1-5-2-3-7-4(5)6;1-3-2;2*1-2/h2-3H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWVHYXGUJYLKGRU-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.54
Rot. Bonds

About ethane;3-methyl-1,3-oxazolidin-2-one;propane

ethane;3-methyl-1,3-oxazolidin-2-one;propane (PubChem CID 54451536) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;3-methyl-1,3-oxazolidin-2-one;propane.

Molecular Properties

Compound Nameethane;3-methyl-1,3-oxazolidin-2-one;propane
PubChem CID54451536
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;3-methyl-1,3-oxazolidin-2-one;propane
SMILESCC.CC.CCC.CN1CCOC1=O
InChIInChI=1S/C4H7NO2.C3H8.2C2H6/c1-5-2-3-7-4(5)6;1-3-2;2*1-2/h2-3H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWVHYXGUJYLKGRU-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-oxazolidin-2-one;propane?
The IUPAC name of ethane;3-methyl-1,3-oxazolidin-2-one;propane (CID 54451536) is ethane;3-methyl-1,3-oxazolidin-2-one;propane.
What is the SMILES notation for ethane;3-methyl-1,3-oxazolidin-2-one;propane?
The canonical SMILES for ethane;3-methyl-1,3-oxazolidin-2-one;propane is CC.CC.CCC.CN1CCOC1=O.
What is the InChIKey of ethane;3-methyl-1,3-oxazolidin-2-one;propane?
The InChIKey is WVHYXGUJYLKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H8.2C2H6/c1-5-2-3-7-4(5)6;1-3-2;2*1-2/h2-3H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,3-oxazolidin-2-one;propane?
ethane;3-methyl-1,3-oxazolidin-2-one;propane has a molecular weight of 205.34 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-oxazolidin-2-one;propane is sourced from PubChem (CID 54451536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).