3-prop-2-ynyl-1,3-oxazinan-2-one

C7H9NO2 — CID 61343041

IUPAC3-prop-2-ynyl-1,3-oxazinan-2-one
SMILESC#CCN1CCCOC1=O
InChIInChI=1S/C7H9NO2/c1-2-4-8-5-3-6-10-7(8)9/h1H,3-6H2
InChIKeyWYJMNSFZCAGIET-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.46
Rot. Bonds1

About 3-prop-2-ynyl-1,3-oxazinan-2-one

3-prop-2-ynyl-1,3-oxazinan-2-one (PubChem CID 61343041) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-prop-2-ynyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-prop-2-ynyl-1,3-oxazinan-2-one
PubChem CID61343041
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-prop-2-ynyl-1,3-oxazinan-2-one
SMILESC#CCN1CCCOC1=O
InChIInChI=1S/C7H9NO2/c1-2-4-8-5-3-6-10-7(8)9/h1H,3-6H2
InChIKeyWYJMNSFZCAGIET-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynyl-1,3-oxazinan-2-one?
The IUPAC name of 3-prop-2-ynyl-1,3-oxazinan-2-one (CID 61343041) is 3-prop-2-ynyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-prop-2-ynyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-prop-2-ynyl-1,3-oxazinan-2-one is C#CCN1CCCOC1=O.
What is the InChIKey of 3-prop-2-ynyl-1,3-oxazinan-2-one?
The InChIKey is WYJMNSFZCAGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-4-8-5-3-6-10-7(8)9/h1H,3-6H2.
What are the key properties of 3-prop-2-ynyl-1,3-oxazinan-2-one?
3-prop-2-ynyl-1,3-oxazinan-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynyl-1,3-oxazinan-2-one is sourced from PubChem (CID 61343041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).