2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane

C22H27NO — CID 145383928

IUPAC2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
SMILESC=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1.CC.CC
InChIInChI=1S/C18H15NO.2C2H6/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14;2*1-2/h3-13H,1-2H2;2*1-2H3
InChIKeyYWEBAJYSNYLAPI-UHFFFAOYSA-N
MW321.46 g/mol
LogP6.85
Rot. Bonds3

About 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane

2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane (PubChem CID 145383928) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
PubChem CID145383928
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
SMILESC=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1.CC.CC
InChIInChI=1S/C18H15NO.2C2H6/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14;2*1-2/h3-13H,1-2H2;2*1-2H3
InChIKeyYWEBAJYSNYLAPI-UHFFFAOYSA-N
XLogP6.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 56.85
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-phenyl-1,4-benzoxazine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane (CID 145383928) is 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane is C=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane?
The InChIKey is YWEBAJYSNYLAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.2C2H6/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14;2*1-2/h3-13H,1-2H2;2*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane?
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane has a molecular weight of 321.46 g/mol, XLogP of 6.85, 3 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-phenyl-1,4-benzoxazine;ethane is sourced from PubChem (CID 145383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).