2-methylidene-3,4-dihydro-1,3-oxazine

C5H7NO — CID 59114531

IUPAC2-methylidene-3,4-dihydro-1,3-oxazine
SMILESC=C1NCC=CO1
InChIInChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2
InChIKeyHWMKAGNPRGIGQN-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.59
Rot. Bonds

About 2-methylidene-3,4-dihydro-1,3-oxazine

2-methylidene-3,4-dihydro-1,3-oxazine (PubChem CID 59114531) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-methylidene-3,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-methylidene-3,4-dihydro-1,3-oxazine
PubChem CID59114531
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-methylidene-3,4-dihydro-1,3-oxazine
SMILESC=C1NCC=CO1
InChIInChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2
InChIKeyHWMKAGNPRGIGQN-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,4-dihydro-1,3-oxazine?
The IUPAC name of 2-methylidene-3,4-dihydro-1,3-oxazine (CID 59114531) is 2-methylidene-3,4-dihydro-1,3-oxazine.
What is the SMILES notation for 2-methylidene-3,4-dihydro-1,3-oxazine?
The canonical SMILES for 2-methylidene-3,4-dihydro-1,3-oxazine is C=C1NCC=CO1.
What is the InChIKey of 2-methylidene-3,4-dihydro-1,3-oxazine?
The InChIKey is HWMKAGNPRGIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2.
What are the key properties of 2-methylidene-3,4-dihydro-1,3-oxazine?
2-methylidene-3,4-dihydro-1,3-oxazine has a molecular weight of 97.12 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4-dihydro-1,3-oxazine is sourced from PubChem (CID 59114531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).