5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

C11H15NO — CID 42625342

IUPAC5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1C)OCCN2
InChIInChI=1S/C11H15NO/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h6,12H,4-5H2,1-3H3
InChIKeyKTLFDMSYPFGKNA-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.42
Rot. Bonds

About 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 42625342) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID42625342
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1C)OCCN2
InChIInChI=1S/C11H15NO/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h6,12H,4-5H2,1-3H3
InChIKeyKTLFDMSYPFGKNA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 42625342) is 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c2c(c1C)OCCN2.
What is the InChIKey of 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KTLFDMSYPFGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h6,12H,4-5H2,1-3H3.
What are the key properties of 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 42625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).