5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine

C10H15NO — CID 134526346

IUPAC5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESCC1=C(C)C2=C(CC1)OCCN2
InChIInChI=1S/C10H15NO/c1-7-3-4-9-10(8(7)2)11-5-6-12-9/h11H,3-6H2,1-2H3
InChIKeyKBNXKBMTYIYYCJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.95
Rot. Bonds

About 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine

5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine (PubChem CID 134526346) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
PubChem CID134526346
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESCC1=C(C)C2=C(CC1)OCCN2
InChIInChI=1S/C10H15NO/c1-7-3-4-9-10(8(7)2)11-5-6-12-9/h11H,3-6H2,1-2H3
InChIKeyKBNXKBMTYIYYCJ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine (CID 134526346) is 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine is CC1=C(C)C2=C(CC1)OCCN2.
What is the InChIKey of 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is KBNXKBMTYIYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-4-9-10(8(7)2)11-5-6-12-9/h11H,3-6H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 165.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 134526346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).