6-ethyl-3,4-dihydro-2H-1,4-benzoxazine

C10H13NO — CID 28806805

IUPAC6-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NCCO2
InChIInChI=1S/C10H13NO/c1-2-8-3-4-10-9(7-8)11-5-6-12-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeySQIOKIUOUDQCCQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.05
Rot. Bonds1

About 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine

6-ethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 28806805) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-ethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID28806805
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc2c(c1)NCCO2
InChIInChI=1S/C10H13NO/c1-2-8-3-4-10-9(7-8)11-5-6-12-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeySQIOKIUOUDQCCQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 28806805) is 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccc2c(c1)NCCO2.
What is the InChIKey of 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is SQIOKIUOUDQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-3-4-10-9(7-8)11-5-6-12-10/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
6-ethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 28806805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).