ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine

C14H27NO — CID 142241416

IUPACethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
SMILESC=CC1=C(/C=C\C)OCCN1C.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-6-10-9(5-2)11(3)7-8-12-10;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyRFLHRFAOEIIMGJ-XFUGJFOESA-N
MW225.38 g/mol
LogP3.97
Rot. Bonds2

About ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine

ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine (PubChem CID 142241416) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Nameethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
PubChem CID142241416
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
SMILESC=CC1=C(/C=C\C)OCCN1C.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-6-10-9(5-2)11(3)7-8-12-10;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyRFLHRFAOEIIMGJ-XFUGJFOESA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The IUPAC name of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine (CID 142241416) is ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The canonical SMILES for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine is C=CC1=C(/C=C\C)OCCN1C.CC.CC.
What is the InChIKey of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The InChIKey is RFLHRFAOEIIMGJ-XFUGJFOESA-N. The full InChI is InChI=1S/C10H15NO.2C2H6/c1-4-6-10-9(5-2)11(3)7-8-12-10;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine has a molecular weight of 225.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 142241416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).