3-prop-1-en-2-yl-1,3-oxazinan-2-one

C7H11NO2 — CID 171846286

IUPAC3-prop-1-en-2-yl-1,3-oxazinan-2-one
SMILESC=C(C)N1CCCOC1=O
InChIInChI=1S/C7H11NO2/c1-6(2)8-4-3-5-10-7(8)9/h1,3-5H2,2H3
InChIKeyBQUHIYIKPKBRGF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds1

About 3-prop-1-en-2-yl-1,3-oxazinan-2-one

3-prop-1-en-2-yl-1,3-oxazinan-2-one (PubChem CID 171846286) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1,3-oxazinan-2-one
PubChem CID171846286
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-prop-1-en-2-yl-1,3-oxazinan-2-one
SMILESC=C(C)N1CCCOC1=O
InChIInChI=1S/C7H11NO2/c1-6(2)8-4-3-5-10-7(8)9/h1,3-5H2,2H3
InChIKeyBQUHIYIKPKBRGF-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 3-prop-1-en-2-yl-1,3-oxazinan-2-one (CID 171846286) is 3-prop-1-en-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-prop-1-en-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 3-prop-1-en-2-yl-1,3-oxazinan-2-one is C=C(C)N1CCCOC1=O.
What is the InChIKey of 3-prop-1-en-2-yl-1,3-oxazinan-2-one?
The InChIKey is BQUHIYIKPKBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(2)8-4-3-5-10-7(8)9/h1,3-5H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1,3-oxazinan-2-one?
3-prop-1-en-2-yl-1,3-oxazinan-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 171846286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).