2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane

C17H23NO — CID 144611377

IUPAC2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane
SMILESC=CC1=C(C=C)N(C)C2=CC=C(C)CC=C2O1.CC
InChIInChI=1S/C15H17NO.C2H6/c1-5-12-14(6-2)17-15-10-8-11(3)7-9-13(15)16(12)4;1-2/h5-7,9-10H,1-2,8H2,3-4H3;1-2H3
InChIKeyYBGCQUQAPUFQBS-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.68
Rot. Bonds2

About 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane

2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane (PubChem CID 144611377) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane
PubChem CID144611377
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane
SMILESC=CC1=C(C=C)N(C)C2=CC=C(C)CC=C2O1.CC
InChIInChI=1S/C15H17NO.C2H6/c1-5-12-14(6-2)17-15-10-8-11(3)7-9-13(15)16(12)4;1-2/h5-7,9-10H,1-2,8H2,3-4H3;1-2H3
InChIKeyYBGCQUQAPUFQBS-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane (CID 144611377) is 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane is C=CC1=C(C=C)N(C)C2=CC=C(C)CC=C2O1.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane?
The InChIKey is YBGCQUQAPUFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C2H6/c1-5-12-14(6-2)17-15-10-8-11(3)7-9-13(15)16(12)4;1-2/h5-7,9-10H,1-2,8H2,3-4H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane?
2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane has a molecular weight of 257.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,7-dimethyl-8H-cyclohepta[b][1,4]oxazine;ethane is sourced from PubChem (CID 144611377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).