3-ethyl-2H-1,2-benzoxazine

C10H11NO — CID 118169184

IUPAC3-ethyl-2H-1,2-benzoxazine
SMILESCCC1=Cc2ccccc2ON1
InChIInChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h3-7,11H,2H2,1H3
InChIKeyREKVYDJCQSUFNN-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.33
Rot. Bonds1

About 3-ethyl-2H-1,2-benzoxazine

3-ethyl-2H-1,2-benzoxazine (PubChem CID 118169184) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-ethyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-ethyl-2H-1,2-benzoxazine
PubChem CID118169184
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-ethyl-2H-1,2-benzoxazine
SMILESCCC1=Cc2ccccc2ON1
InChIInChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h3-7,11H,2H2,1H3
InChIKeyREKVYDJCQSUFNN-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-1,2-benzoxazine?
The IUPAC name of 3-ethyl-2H-1,2-benzoxazine (CID 118169184) is 3-ethyl-2H-1,2-benzoxazine.
What is the SMILES notation for 3-ethyl-2H-1,2-benzoxazine?
The canonical SMILES for 3-ethyl-2H-1,2-benzoxazine is CCC1=Cc2ccccc2ON1.
What is the InChIKey of 3-ethyl-2H-1,2-benzoxazine?
The InChIKey is REKVYDJCQSUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h3-7,11H,2H2,1H3.
What are the key properties of 3-ethyl-2H-1,2-benzoxazine?
3-ethyl-2H-1,2-benzoxazine has a molecular weight of 161.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-1,2-benzoxazine is sourced from PubChem (CID 118169184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).