ethane;1,3-oxazinan-2-one

C6H13NO2 — CID 90877798

IUPACethane;1,3-oxazinan-2-one
SMILESCC.O=C1NCCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-4-5-2-1-3-7-4;1-2/h1-3H2,(H,5,6);1-2H3
InChIKeyQUKNWFZNCSMYFC-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.14
Rot. Bonds

About ethane;1,3-oxazinan-2-one

ethane;1,3-oxazinan-2-one (PubChem CID 90877798) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethane;1,3-oxazinan-2-one.

Molecular Properties

Compound Nameethane;1,3-oxazinan-2-one
PubChem CID90877798
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethane;1,3-oxazinan-2-one
SMILESCC.O=C1NCCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-4-5-2-1-3-7-4;1-2/h1-3H2,(H,5,6);1-2H3
InChIKeyQUKNWFZNCSMYFC-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3-oxazinan-2-one?
The IUPAC name of ethane;1,3-oxazinan-2-one (CID 90877798) is ethane;1,3-oxazinan-2-one.
What is the SMILES notation for ethane;1,3-oxazinan-2-one?
The canonical SMILES for ethane;1,3-oxazinan-2-one is CC.O=C1NCCCO1.
What is the InChIKey of ethane;1,3-oxazinan-2-one?
The InChIKey is QUKNWFZNCSMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c6-4-5-2-1-3-7-4;1-2/h1-3H2,(H,5,6);1-2H3.
What are the key properties of ethane;1,3-oxazinan-2-one?
ethane;1,3-oxazinan-2-one has a molecular weight of 131.18 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-oxazinan-2-one is sourced from PubChem (CID 90877798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).