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

C11H15NO — CID 143686064

IUPAC8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC1(C)C=CC=C2CNCOC2=C1
InChIInChI=1S/C11H15NO/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6,12H,7-8H2,1-2H3
InChIKeyHAQPZCRPFPPVMI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.97
Rot. Bonds

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

8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 143686064) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID143686064
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC1(C)C=CC=C2CNCOC2=C1
InChIInChI=1S/C11H15NO/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6,12H,7-8H2,1-2H3
InChIKeyHAQPZCRPFPPVMI-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 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 143686064) is 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is CC1(C)C=CC=C2CNCOC2=C1.
What is the InChIKey of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is HAQPZCRPFPPVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
8,8-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 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 143686064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).