6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine

C11H15NO — CID 143248624

IUPAC6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1(C)C=CC=C2OCCNC2=C1
InChIInChI=1S/C11H15NO/c1-11(2)5-3-4-10-9(8-11)12-6-7-13-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyHPGCBDHBPSXKOJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.97
Rot. Bonds

About 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine

6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine (PubChem CID 143248624) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine
PubChem CID143248624
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1(C)C=CC=C2OCCNC2=C1
InChIInChI=1S/C11H15NO/c1-11(2)5-3-4-10-9(8-11)12-6-7-13-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyHPGCBDHBPSXKOJ-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 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine?
The IUPAC name of 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine (CID 143248624) is 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine.
What is the SMILES notation for 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine?
The canonical SMILES for 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine is CC1(C)C=CC=C2OCCNC2=C1.
What is the InChIKey of 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine?
The InChIKey is HPGCBDHBPSXKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)5-3-4-10-9(8-11)12-6-7-13-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine?
6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]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 6,6-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazine is sourced from PubChem (CID 143248624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).