1-ethyl-2-methylidene-3,1-benzoxazin-4-one

C11H11NO2 — CID 155236220

IUPAC1-ethyl-2-methylidene-3,1-benzoxazin-4-one
SMILESC=C1OC(=O)c2ccccc2N1CC
InChIInChI=1S/C11H11NO2/c1-3-12-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3
InChIKeyBOSTVSGLXXZSSR-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.15
Rot. Bonds1

About 1-ethyl-2-methylidene-3,1-benzoxazin-4-one

1-ethyl-2-methylidene-3,1-benzoxazin-4-one (PubChem CID 155236220) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-ethyl-2-methylidene-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name1-ethyl-2-methylidene-3,1-benzoxazin-4-one
PubChem CID155236220
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-ethyl-2-methylidene-3,1-benzoxazin-4-one
SMILESC=C1OC(=O)c2ccccc2N1CC
InChIInChI=1S/C11H11NO2/c1-3-12-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3
InChIKeyBOSTVSGLXXZSSR-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylidene-3,1-benzoxazin-4-one?
The IUPAC name of 1-ethyl-2-methylidene-3,1-benzoxazin-4-one (CID 155236220) is 1-ethyl-2-methylidene-3,1-benzoxazin-4-one.
What is the SMILES notation for 1-ethyl-2-methylidene-3,1-benzoxazin-4-one?
The canonical SMILES for 1-ethyl-2-methylidene-3,1-benzoxazin-4-one is C=C1OC(=O)c2ccccc2N1CC.
What is the InChIKey of 1-ethyl-2-methylidene-3,1-benzoxazin-4-one?
The InChIKey is BOSTVSGLXXZSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-12-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3H2,1H3.
What are the key properties of 1-ethyl-2-methylidene-3,1-benzoxazin-4-one?
1-ethyl-2-methylidene-3,1-benzoxazin-4-one has a molecular weight of 189.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylidene-3,1-benzoxazin-4-one is sourced from PubChem (CID 155236220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).