7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine

C10H13NO2 — CID 145350586

IUPAC7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCOC1=CC=C2NCCOC2C=C1
InChIInChI=1S/C10H13NO2/c1-12-8-2-4-9-10(5-3-8)13-7-6-11-9/h2-5,10-11H,6-7H2,1H3
InChIKeySOTWMRUWQFXKIL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds1

About 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine

7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 145350586) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID145350586
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCOC1=CC=C2NCCOC2C=C1
InChIInChI=1S/C10H13NO2/c1-12-8-2-4-9-10(5-3-8)13-7-6-11-9/h2-5,10-11H,6-7H2,1H3
InChIKeySOTWMRUWQFXKIL-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine (CID 145350586) is 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine is COC1=CC=C2NCCOC2C=C1.
What is the InChIKey of 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is SOTWMRUWQFXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-8-2-4-9-10(5-3-8)13-7-6-11-9/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine?
7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 179.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,9a-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 145350586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).