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

C12H21NO2 — CID 144545928

IUPAC(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
SMILESC/C=C1/CN(C)C(=O)O/C1=C/C.CCC
InChIInChI=1S/C9H13NO2.C3H8/c1-4-7-6-10(3)9(11)12-8(7)5-2;1-3-2/h4-5H,6H2,1-3H3;3H2,1-2H3/b7-4-,8-5+;
InChIKeyYWTVQOHJGUGOSG-QMKOBIDDSA-N
MW211.30 g/mol
LogP3.33
Rot. Bonds

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

(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane (PubChem CID 144545928) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane.

Molecular Properties

Compound Name(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
PubChem CID144545928
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
SMILESC/C=C1/CN(C)C(=O)O/C1=C/C.CCC
InChIInChI=1S/C9H13NO2.C3H8/c1-4-7-6-10(3)9(11)12-8(7)5-2;1-3-2/h4-5H,6H2,1-3H3;3H2,1-2H3/b7-4-,8-5+;
InChIKeyYWTVQOHJGUGOSG-QMKOBIDDSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane?
The IUPAC name of (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane (CID 144545928) is (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane.
What is the SMILES notation for (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane?
The canonical SMILES for (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane is C/C=C1/CN(C)C(=O)O/C1=C/C.CCC.
What is the InChIKey of (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane?
The InChIKey is YWTVQOHJGUGOSG-QMKOBIDDSA-N. The full InChI is InChI=1S/C9H13NO2.C3H8/c1-4-7-6-10(3)9(11)12-8(7)5-2;1-3-2/h4-5H,6H2,1-3H3;3H2,1-2H3/b7-4-,8-5+;.
What are the key properties of (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane?
(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane has a molecular weight of 211.30 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane is sourced from PubChem (CID 144545928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).