2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine

C13H21NO — CID 155261991

IUPAC2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
SMILESC/C=C\C1=C(/C=C\C)N(C)CC(CC)O1
InChIInChI=1S/C13H21NO/c1-5-8-12-13(9-6-2)15-11(7-3)10-14(12)4/h5-6,8-9,11H,7,10H2,1-4H3/b8-5-,9-6-
InChIKeyIEERJEFACWHCJF-VVRUXRSYSA-N
MW207.32 g/mol
LogP3.09
Rot. Bonds3

About 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine

2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine (PubChem CID 155261991) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
PubChem CID155261991
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
SMILESC/C=C\C1=C(/C=C\C)N(C)CC(CC)O1
InChIInChI=1S/C13H21NO/c1-5-8-12-13(9-6-2)15-11(7-3)10-14(12)4/h5-6,8-9,11H,7,10H2,1-4H3/b8-5-,9-6-
InChIKeyIEERJEFACWHCJF-VVRUXRSYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The IUPAC name of 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine (CID 155261991) is 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine is C/C=C\C1=C(/C=C\C)N(C)CC(CC)O1.
What is the InChIKey of 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
The InChIKey is IEERJEFACWHCJF-VVRUXRSYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-8-12-13(9-6-2)15-11(7-3)10-14(12)4/h5-6,8-9,11H,7,10H2,1-4H3/b8-5-,9-6-.
What are the key properties of 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine?
2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine has a molecular weight of 207.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 155261991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).