(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine

C8H11NO — CID 20678275

IUPAC(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine
SMILESC=C1O/C(=C/C)C(=C)N1C
InChIInChI=1S/C8H11NO/c1-5-8-6(2)9(4)7(3)10-8/h5H,2-3H2,1,4H3/b8-5+
InChIKeyNPMATSRJKKRGII-VMPITWQZSA-N
MW137.18 g/mol
LogP1.84
Rot. Bonds

About (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine

(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine (PubChem CID 20678275) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine
PubChem CID20678275
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine
SMILESC=C1O/C(=C/C)C(=C)N1C
InChIInChI=1S/C8H11NO/c1-5-8-6(2)9(4)7(3)10-8/h5H,2-3H2,1,4H3/b8-5+
InChIKeyNPMATSRJKKRGII-VMPITWQZSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine?
The IUPAC name of (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine (CID 20678275) is (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine.
What is the SMILES notation for (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine?
The canonical SMILES for (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine is C=C1O/C(=C/C)C(=C)N1C.
What is the InChIKey of (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine?
The InChIKey is NPMATSRJKKRGII-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-8-6(2)9(4)7(3)10-8/h5H,2-3H2,1,4H3/b8-5+.
What are the key properties of (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine?
(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine has a molecular weight of 137.18 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine is sourced from PubChem (CID 20678275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).