4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one

C11H13NO3 — CID 13260479

IUPAC4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCCC1OC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H13NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h4-6,10H,3H2,1-2H3,(H,12,13)
InChIKeyLSBLIVZXECWMJK-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.71
Rot. Bonds2

About 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one

4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 13260479) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID13260479
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCCC1OC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C11H13NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h4-6,10H,3H2,1-2H3,(H,12,13)
InChIKeyLSBLIVZXECWMJK-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (CID 13260479) is 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is CCC1OC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is LSBLIVZXECWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-10-8-6-7(14-2)4-5-9(8)12-11(13)15-10/h4-6,10H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 207.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 13260479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).