2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine

C11H18N2O2 — CID 67107875

IUPAC2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCCC(C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C11H18N2O2/c1-2-9(10-12-5-3-7-14-10)11-13-6-4-8-15-11/h9H,2-8H2,1H3
InChIKeyVTPFOSFEGNHZHH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds3

About 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine

2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 67107875) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID67107875
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCCC(C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C11H18N2O2/c1-2-9(10-12-5-3-7-14-10)11-13-6-4-8-15-11/h9H,2-8H2,1H3
InChIKeyVTPFOSFEGNHZHH-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine (CID 67107875) is 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine is CCC(C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VTPFOSFEGNHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-9(10-12-5-3-7-14-10)11-13-6-4-8-15-11/h9H,2-8H2,1H3.
What are the key properties of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine?
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 210.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 67107875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).