6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one

C8H11NO2 — CID 123806537

IUPAC6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCN1CCC(=C)OC1=O
InChIInChI=1S/C8H11NO2/c1-3-5-9-6-4-7(2)11-8(9)10/h3H,1-2,4-6H2
InChIKeyRCDMYFJBIZPFHG-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.53
Rot. Bonds2

About 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one

6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 123806537) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID123806537
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCN1CCC(=C)OC1=O
InChIInChI=1S/C8H11NO2/c1-3-5-9-6-4-7(2)11-8(9)10/h3H,1-2,4-6H2
InChIKeyRCDMYFJBIZPFHG-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one (CID 123806537) is 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one is C=CCN1CCC(=C)OC1=O.
What is the InChIKey of 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is RCDMYFJBIZPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-9-6-4-7(2)11-8(9)10/h3H,1-2,4-6H2.
What are the key properties of 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one?
6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 123806537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).