ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine

C11H19NO — CID 143066023

IUPACethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(C(=C)C)NCCO1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-8-9(7(2)3)10-5-6-11-8;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3
InChIKeyBJEUZIRAKAOTJU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds2

About ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine

ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 143066023) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Nameethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
PubChem CID143066023
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(C(=C)C)NCCO1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-8-9(7(2)3)10-5-6-11-8;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3
InChIKeyBJEUZIRAKAOTJU-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diathoxydihydro-Collidin
CID 129629331
3,4,5,7-tetrahydro-2H-1,4-benzoxazepin-7-ide;yttrium
CID 59586494
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol
CID 89334774
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
CID 118146496
3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 123211623

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine (CID 143066023) is ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(C(=C)C)NCCO1.CC.
What is the InChIKey of ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is BJEUZIRAKAOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-8-9(7(2)3)10-5-6-11-8;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3.
What are the key properties of ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine?
ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 181.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 143066023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).