ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one

C12H21NO2 — CID 144547296

IUPACethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
SMILESC/C=C1/CN(C)C(=O)O/C1=C/CC.CC
InChIInChI=1S/C10H15NO2.C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;1-2/h5-6H,4,7H2,1-3H3;1-2H3/b8-5-,9-6+;
InChIKeyMJKFFLBBLWHMGH-BJHRKZFFSA-N
MW211.30 g/mol
LogP3.33
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one

ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one (PubChem CID 144547296) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
PubChem CID144547296
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
SMILESC/C=C1/CN(C)C(=O)O/C1=C/CC.CC
InChIInChI=1S/C10H15NO2.C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;1-2/h5-6H,4,7H2,1-3H3;1-2H3/b8-5-,9-6+;
InChIKeyMJKFFLBBLWHMGH-BJHRKZFFSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one (CID 144547296) is ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one is C/C=C1/CN(C)C(=O)O/C1=C/CC.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one?
The InChIKey is MJKFFLBBLWHMGH-BJHRKZFFSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-4-6-9-8(5-2)7-11(3)10(12)13-9;1-2/h5-6H,4,7H2,1-3H3;1-2H3/b8-5-,9-6+;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one?
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one has a molecular weight of 211.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one is sourced from PubChem (CID 144547296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).