4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine

C11H15NO — CID 144790361

IUPAC4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1=CC2=C(CC=C1)N(C)CCO2
InChIInChI=1S/C11H15NO/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2/h3-4,8H,5-7H2,1-2H3
InChIKeyPSVRWOUQTSOXRZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.07
Rot. Bonds

About 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine

4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine (PubChem CID 144790361) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine
PubChem CID144790361
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1=CC2=C(CC=C1)N(C)CCO2
InChIInChI=1S/C11H15NO/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2/h3-4,8H,5-7H2,1-2H3
InChIKeyPSVRWOUQTSOXRZ-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine?
The IUPAC name of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine (CID 144790361) is 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine.
What is the SMILES notation for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine?
The canonical SMILES for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine is CC1=CC2=C(CC=C1)N(C)CCO2.
What is the InChIKey of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine?
The InChIKey is PSVRWOUQTSOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine?
4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine has a molecular weight of 177.25 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine is sourced from PubChem (CID 144790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).