3-(3-ethylpentanoyl)-1,3-oxazinan-2-one

C11H19NO3 — CID 18702564

IUPAC3-(3-ethylpentanoyl)-1,3-oxazinan-2-one
SMILESCCC(CC)CC(=O)N1CCCOC1=O
InChIInChI=1S/C11H19NO3/c1-3-9(4-2)8-10(13)12-6-5-7-15-11(12)14/h9H,3-8H2,1-2H3
InChIKeyTWTWJXFKICJJKJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds4

About 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one

3-(3-ethylpentanoyl)-1,3-oxazinan-2-one (PubChem CID 18702564) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-ethylpentanoyl)-1,3-oxazinan-2-one
PubChem CID18702564
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(3-ethylpentanoyl)-1,3-oxazinan-2-one
SMILESCCC(CC)CC(=O)N1CCCOC1=O
InChIInChI=1S/C11H19NO3/c1-3-9(4-2)8-10(13)12-6-5-7-15-11(12)14/h9H,3-8H2,1-2H3
InChIKeyTWTWJXFKICJJKJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one (CID 18702564) is 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one is CCC(CC)CC(=O)N1CCCOC1=O.
What is the InChIKey of 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one?
The InChIKey is TWTWJXFKICJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-9(4-2)8-10(13)12-6-5-7-15-11(12)14/h9H,3-8H2,1-2H3.
What are the key properties of 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one?
3-(3-ethylpentanoyl)-1,3-oxazinan-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentanoyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 18702564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).