4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine

C11H15NO — CID 142474862

IUPAC4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1=CC=C2C(=CC1)OCCN2C
InChIInChI=1S/C11H15NO/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFMMMEHRWGFRCJX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.07
Rot. Bonds

About 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine

4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine (PubChem CID 142474862) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine
PubChem CID142474862
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1=CC=C2C(=CC1)OCCN2C
InChIInChI=1S/C11H15NO/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFMMMEHRWGFRCJX-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 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine?
The IUPAC name of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine (CID 142474862) is 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine.
What is the SMILES notation for 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine?
The canonical SMILES for 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine is CC1=CC=C2C(=CC1)OCCN2C.
What is the InChIKey of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine?
The InChIKey is FMMMEHRWGFRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine?
4,7-dimethyl-3,8-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 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine is sourced from PubChem (CID 142474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).