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

C11H15NO — CID 170121617

IUPAC7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC1(C)C=CC2=C(C=C1)OCNC2
InChIInChI=1S/C11H15NO/c1-11(2)5-3-9-7-12-8-13-10(9)4-6-11/h3-6,12H,7-8H2,1-2H3
InChIKeyIEDOLBGKEOBGOL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.97
Rot. Bonds

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

7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 170121617) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID170121617
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC1(C)C=CC2=C(C=C1)OCNC2
InChIInChI=1S/C11H15NO/c1-11(2)5-3-9-7-12-8-13-10(9)4-6-11/h3-6,12H,7-8H2,1-2H3
InChIKeyIEDOLBGKEOBGOL-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 170121617) is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is CC1(C)C=CC2=C(C=C1)OCNC2.
What is the InChIKey of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is IEDOLBGKEOBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)5-3-9-7-12-8-13-10(9)4-6-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine has a molecular weight of 177.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 170121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).