6-propan-2-yloxazinan-3-one

C7H13NO2 — CID 142623105

IUPAC6-propan-2-yloxazinan-3-one
SMILESCC(C)C1CCC(=O)NO1
InChIInChI=1S/C7H13NO2/c1-5(2)6-3-4-7(9)8-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyLVVLJVDOGTYIOE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.85
Rot. Bonds1

About 6-propan-2-yloxazinan-3-one

6-propan-2-yloxazinan-3-one (PubChem CID 142623105) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 6-propan-2-yloxazinan-3-one.

Molecular Properties

Compound Name6-propan-2-yloxazinan-3-one
PubChem CID142623105
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name6-propan-2-yloxazinan-3-one
SMILESCC(C)C1CCC(=O)NO1
InChIInChI=1S/C7H13NO2/c1-5(2)6-3-4-7(9)8-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyLVVLJVDOGTYIOE-UHFFFAOYSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxazinan-3-one?
The IUPAC name of 6-propan-2-yloxazinan-3-one (CID 142623105) is 6-propan-2-yloxazinan-3-one.
What is the SMILES notation for 6-propan-2-yloxazinan-3-one?
The canonical SMILES for 6-propan-2-yloxazinan-3-one is CC(C)C1CCC(=O)NO1.
What is the InChIKey of 6-propan-2-yloxazinan-3-one?
The InChIKey is LVVLJVDOGTYIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)6-3-4-7(9)8-10-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 6-propan-2-yloxazinan-3-one?
6-propan-2-yloxazinan-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxazinan-3-one is sourced from PubChem (CID 142623105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).