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

C11H15NO — CID 82229725

IUPAC4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)OCCN2C
InChIInChI=1S/C11H15NO/c1-8-6-9(2)11-10(7-8)13-5-4-12(11)3/h6-7H,4-5H2,1-3H3
InChIKeyRTWJDQPQITUGMQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds

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

4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82229725) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID82229725
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)OCCN2C
InChIInChI=1S/C11H15NO/c1-8-6-9(2)11-10(7-8)13-5-4-12(11)3/h6-7H,4-5H2,1-3H3
InChIKeyRTWJDQPQITUGMQ-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine (CID 82229725) is 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine is Cc1cc(C)c2c(c1)OCCN2C.
What is the InChIKey of 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is RTWJDQPQITUGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9(2)11-10(7-8)13-5-4-12(11)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82229725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).