2H-oxazine;propan-2-one

C7H11NO2 — CID 165061305

IUPAC2H-oxazine;propan-2-one
SMILESC1=CNOC=C1.CC(C)=O
InChIInChI=1S/C4H5NO.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-5H;1-2H3
InChIKeyRGDANJRRAHWEQD-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.14
Rot. Bonds

About 2H-oxazine;propan-2-one

2H-oxazine;propan-2-one (PubChem CID 165061305) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2H-oxazine;propan-2-one.

Molecular Properties

Compound Name2H-oxazine;propan-2-one
PubChem CID165061305
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2H-oxazine;propan-2-one
SMILESC1=CNOC=C1.CC(C)=O
InChIInChI=1S/C4H5NO.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-5H;1-2H3
InChIKeyRGDANJRRAHWEQD-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;propan-2-one?
The IUPAC name of 2H-oxazine;propan-2-one (CID 165061305) is 2H-oxazine;propan-2-one.
What is the SMILES notation for 2H-oxazine;propan-2-one?
The canonical SMILES for 2H-oxazine;propan-2-one is C1=CNOC=C1.CC(C)=O.
What is the InChIKey of 2H-oxazine;propan-2-one?
The InChIKey is RGDANJRRAHWEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-5H;1-2H3.
What are the key properties of 2H-oxazine;propan-2-one?
2H-oxazine;propan-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;propan-2-one is sourced from PubChem (CID 165061305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).