(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one

C8H9NO2 — CID 134299954

IUPAC(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one
SMILESC/C=c1/ncoc(=O)/c1=C/C
InChIInChI=1S/C8H9NO2/c1-3-6-7(4-2)9-5-11-8(6)10/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyBMQHBHYIHUVRQO-XOKGJFMYSA-N
MW151.16 g/mol
LogP-0.36
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one

(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one (PubChem CID 134299954) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one
PubChem CID134299954
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one
SMILESC/C=c1/ncoc(=O)/c1=C/C
InChIInChI=1S/C8H9NO2/c1-3-6-7(4-2)9-5-11-8(6)10/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyBMQHBHYIHUVRQO-XOKGJFMYSA-N
XLogP-0.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one (CID 134299954) is (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one is C/C=c1/ncoc(=O)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one?
The InChIKey is BMQHBHYIHUVRQO-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-6-7(4-2)9-5-11-8(6)10/h3-5H,1-2H3/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one?
(4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one has a molecular weight of 151.16 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1,3-oxazin-6-one is sourced from PubChem (CID 134299954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).