5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine

C7H13NO — CID 15273915

IUPAC5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)C1CN=COC1
InChIInChI=1S/C7H13NO/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3
InChIKeyUOYTZNSSXNTMCE-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.32
Rot. Bonds1

About 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine

5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 15273915) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID15273915
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)C1CN=COC1
InChIInChI=1S/C7H13NO/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3
InChIKeyUOYTZNSSXNTMCE-UHFFFAOYSA-N
XLogP1.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine (CID 15273915) is 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine is CC(C)C1CN=COC1.
What is the InChIKey of 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is UOYTZNSSXNTMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine?
5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 15273915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).