2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine

C11H15NO — CID 130340258

IUPAC2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1=CC=CC2NCC(C)OC2=C1
InChIInChI=1S/C11H15NO/c1-8-4-3-5-10-11(6-8)13-9(2)7-12-10/h3-6,9-10,12H,7H2,1-2H3
InChIKeyLNFDGOKYKGFUTH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds

About 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine

2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 130340258) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID130340258
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1=CC=CC2NCC(C)OC2=C1
InChIInChI=1S/C11H15NO/c1-8-4-3-5-10-11(6-8)13-9(2)7-12-10/h3-6,9-10,12H,7H2,1-2H3
InChIKeyLNFDGOKYKGFUTH-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine (CID 130340258) is 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine is CC1=CC=CC2NCC(C)OC2=C1.
What is the InChIKey of 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is LNFDGOKYKGFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-3-5-10-11(6-8)13-9(2)7-12-10/h3-6,9-10,12H,7H2,1-2H3.
What are the key properties of 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine?
2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 177.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 130340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).