4-ethyl-8-methoxy-1,3-benzoxazin-2-one

C11H11NO3 — CID 71154693

IUPAC4-ethyl-8-methoxy-1,3-benzoxazin-2-one
SMILESCCc1nc(=O)oc2c(OC)cccc12
InChIInChI=1S/C11H11NO3/c1-3-8-7-5-4-6-9(14-2)10(7)15-11(13)12-8/h4-6H,3H2,1-2H3
InChIKeyYLMOSSOPVXLZGG-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.76
Rot. Bonds2

About 4-ethyl-8-methoxy-1,3-benzoxazin-2-one

4-ethyl-8-methoxy-1,3-benzoxazin-2-one (PubChem CID 71154693) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-ethyl-8-methoxy-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name4-ethyl-8-methoxy-1,3-benzoxazin-2-one
PubChem CID71154693
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-ethyl-8-methoxy-1,3-benzoxazin-2-one
SMILESCCc1nc(=O)oc2c(OC)cccc12
InChIInChI=1S/C11H11NO3/c1-3-8-7-5-4-6-9(14-2)10(7)15-11(13)12-8/h4-6H,3H2,1-2H3
InChIKeyYLMOSSOPVXLZGG-UHFFFAOYSA-N
XLogP1.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methoxy-1,3-benzoxazin-2-one?
The IUPAC name of 4-ethyl-8-methoxy-1,3-benzoxazin-2-one (CID 71154693) is 4-ethyl-8-methoxy-1,3-benzoxazin-2-one.
What is the SMILES notation for 4-ethyl-8-methoxy-1,3-benzoxazin-2-one?
The canonical SMILES for 4-ethyl-8-methoxy-1,3-benzoxazin-2-one is CCc1nc(=O)oc2c(OC)cccc12.
What is the InChIKey of 4-ethyl-8-methoxy-1,3-benzoxazin-2-one?
The InChIKey is YLMOSSOPVXLZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-8-7-5-4-6-9(14-2)10(7)15-11(13)12-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-8-methoxy-1,3-benzoxazin-2-one?
4-ethyl-8-methoxy-1,3-benzoxazin-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methoxy-1,3-benzoxazin-2-one is sourced from PubChem (CID 71154693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).