4-ethenyl-2H-3,1-benzoxazine

C10H9NO — CID 172994105

IUPAC4-ethenyl-2H-3,1-benzoxazine
SMILESC=CC1=c2ccccc2=NCO1
InChIInChI=1S/C10H9NO/c1-2-10-8-5-3-4-6-9(8)11-7-12-10/h2-6H,1,7H2
InChIKeyIVYYHOMPIUGUQP-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.59
Rot. Bonds1

About 4-ethenyl-2H-3,1-benzoxazine

4-ethenyl-2H-3,1-benzoxazine (PubChem CID 172994105) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-ethenyl-2H-3,1-benzoxazine.

Molecular Properties

Compound Name4-ethenyl-2H-3,1-benzoxazine
PubChem CID172994105
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-ethenyl-2H-3,1-benzoxazine
SMILESC=CC1=c2ccccc2=NCO1
InChIInChI=1S/C10H9NO/c1-2-10-8-5-3-4-6-9(8)11-7-12-10/h2-6H,1,7H2
InChIKeyIVYYHOMPIUGUQP-UHFFFAOYSA-N
XLogP0.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67878092
CID 67878092
2,3-bis(ethenyl)-1,4-benzodioxine;ethane
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2,3-bis(ethenyl)-4-methyl-1,5-benzoxazepine;ethane
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1,2-bis(ethenyl)benzene;platinum
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4-methyl-2H-1,3-benzoxazine
CID 129065848
ethenoxyethene;1-ethenyl-2-methylbenzene
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2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
benzo[d][2,1]benzoxazepine
CID 3080684
2-ethoxy-1-(2H-indol-3-yl)prop-2-en-1-one
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1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2H-3,1-benzoxazine?
The IUPAC name of 4-ethenyl-2H-3,1-benzoxazine (CID 172994105) is 4-ethenyl-2H-3,1-benzoxazine.
What is the SMILES notation for 4-ethenyl-2H-3,1-benzoxazine?
The canonical SMILES for 4-ethenyl-2H-3,1-benzoxazine is C=CC1=c2ccccc2=NCO1.
What is the InChIKey of 4-ethenyl-2H-3,1-benzoxazine?
The InChIKey is IVYYHOMPIUGUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-10-8-5-3-4-6-9(8)11-7-12-10/h2-6H,1,7H2.
What are the key properties of 4-ethenyl-2H-3,1-benzoxazine?
4-ethenyl-2H-3,1-benzoxazine has a molecular weight of 159.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2H-3,1-benzoxazine is sourced from PubChem (CID 172994105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).