5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane

C11H17NO — CID 142937835

IUPAC5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane
SMILESC=CC1=C(C=C)C(=C)NCO1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-8-7(3)10-6-11-9(8)5-2;1-2/h4-5,10H,1-3,6H2;1-2H3
InChIKeyOZBOOVAVMCGYDJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.73
Rot. Bonds2

About 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane

5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane (PubChem CID 142937835) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane
PubChem CID142937835
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane
SMILESC=CC1=C(C=C)C(=C)NCO1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-8-7(3)10-6-11-9(8)5-2;1-2/h4-5,10H,1-3,6H2;1-2H3
InChIKeyOZBOOVAVMCGYDJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane?
The IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane (CID 142937835) is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane is C=CC1=C(C=C)C(=C)NCO1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane?
The InChIKey is OZBOOVAVMCGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-4-8-7(3)10-6-11-9(8)5-2;1-2/h4-5,10H,1-3,6H2;1-2H3.
What are the key properties of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane?
5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane has a molecular weight of 179.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydro-1,3-oxazine;ethane is sourced from PubChem (CID 142937835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).