2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine

C7H11NO — CID 19862041

IUPAC2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CCC1=NCCCO1
InChIInChI=1S/C7H11NO/c1-2-4-7-8-5-3-6-9-7/h2H,1,3-6H2
InChIKeyDYFOIQZSWLZVRS-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds2

About 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine

2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 19862041) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID19862041
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CCC1=NCCCO1
InChIInChI=1S/C7H11NO/c1-2-4-7-8-5-3-6-9-7/h2H,1,3-6H2
InChIKeyDYFOIQZSWLZVRS-UHFFFAOYSA-N
XLogP1.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
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 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine (CID 19862041) is 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine is C=CCC1=NCCCO1.
What is the InChIKey of 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is DYFOIQZSWLZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-4-7-8-5-3-6-9-7/h2H,1,3-6H2.
What are the key properties of 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine?
2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 125.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 19862041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).