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

C10H11NO — CID 141192559

IUPAC6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine
SMILESC=Cc1ccc2c(c1)CNCO2
InChIInChI=1S/C10H11NO/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5,11H,1,6-7H2
InChIKeyGIZRWLJELCCVTN-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.77
Rot. Bonds1

About 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine

6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine (PubChem CID 141192559) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine
PubChem CID141192559
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine
SMILESC=Cc1ccc2c(c1)CNCO2
InChIInChI=1S/C10H11NO/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5,11H,1,6-7H2
InChIKeyGIZRWLJELCCVTN-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175961395
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2,6-bis(ethenyl)-9,10-dihydroanthracene
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CID 70311228
5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine
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8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 20706175
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
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(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine?
The IUPAC name of 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine (CID 141192559) is 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine.
What is the SMILES notation for 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine?
The canonical SMILES for 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine is C=Cc1ccc2c(c1)CNCO2.
What is the InChIKey of 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine?
The InChIKey is GIZRWLJELCCVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-8-3-4-10-9(5-8)6-11-7-12-10/h2-5,11H,1,6-7H2.
What are the key properties of 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine?
6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine has a molecular weight of 161.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3,4-dihydro-2H-1,3-benzoxazine is sourced from PubChem (CID 141192559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).