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

C12H20N2O2 — CID 19789173

IUPAC2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
SMILESC1CN=C(CCCCC2=NCCCO2)OC1
InChIInChI=1S/C12H20N2O2/c1(5-11-13-7-3-9-15-11)2-6-12-14-8-4-10-16-12/h1-10H2
InChIKeyVRRKNSMODVXFPP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.18
Rot. Bonds5

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

2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 19789173) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID19789173
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
SMILESC1CN=C(CCCCC2=NCCCO2)OC1
InChIInChI=1S/C12H20N2O2/c1(5-11-13-7-3-9-15-11)2-6-12-14-8-4-10-16-12/h1-10H2
InChIKeyVRRKNSMODVXFPP-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine (CID 19789173) is 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine is C1CN=C(CCCCC2=NCCCO2)OC1.
What is the InChIKey of 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VRRKNSMODVXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1(5-11-13-7-3-9-15-11)2-6-12-14-8-4-10-16-12/h1-10H2.
What are the key properties of 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 224.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 19789173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).