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

C12H23NO — CID 142875287

IUPAC5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
SMILESC=CC1=C(C=C)OCCN1.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-4,9H,1-2,5-6H2;2*1-2H3
InChIKeyNXPBKQZAJICANH-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.24
Rot. Bonds2

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

5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane (PubChem CID 142875287) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
PubChem CID142875287
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
SMILESC=CC1=C(C=C)OCCN1.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-4,9H,1-2,5-6H2;2*1-2H3
InChIKeyNXPBKQZAJICANH-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.24
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)-3,4-dihydro-2H-1,4-oxazine;ethane?
The IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane (CID 142875287) is 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane is C=CC1=C(C=C)OCCN1.CC.CC.
What is the InChIKey of 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane?
The InChIKey is NXPBKQZAJICANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.2C2H6/c1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-4,9H,1-2,5-6H2;2*1-2H3.
What are the key properties of 5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane?
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane has a molecular weight of 197.32 g/mol, XLogP of 3.24, 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)-3,4-dihydro-2H-1,4-oxazine;ethane is sourced from PubChem (CID 142875287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).