3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine

C11H13NO — CID 154977071

IUPAC3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=CN1COC2=CCC=CC=C2C1
InChIInChI=1S/C11H13NO/c1-2-12-8-10-6-4-3-5-7-11(10)13-9-12/h2-4,6-7H,1,5,8-9H2
InChIKeyQHDDTEMWTIROOW-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds1

About 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine

3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 154977071) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID154977071
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=CN1COC2=CCC=CC=C2C1
InChIInChI=1S/C11H13NO/c1-2-12-8-10-6-4-3-5-7-11(10)13-9-12/h2-4,6-7H,1,5,8-9H2
InChIKeyQHDDTEMWTIROOW-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 154977071) is 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine is C=CN1COC2=CCC=CC=C2C1.
What is the InChIKey of 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is QHDDTEMWTIROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-12-8-10-6-4-3-5-7-11(10)13-9-12/h2-4,6-7H,1,5,8-9H2.
What are the key properties of 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine?
3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine has a molecular weight of 175.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 154977071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).