3,4,5,6-tetrahydro-2H-oxazocine

C6H11NO — CID 67177813

IUPAC3,4,5,6-tetrahydro-2H-oxazocine
SMILESC1=CONCCCC1
InChIInChI=1S/C6H11NO/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2
InChIKeyINVOSXCULFCGQV-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-oxazocine

3,4,5,6-tetrahydro-2H-oxazocine (PubChem CID 67177813) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-oxazocine.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-oxazocine
PubChem CID67177813
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,4,5,6-tetrahydro-2H-oxazocine
SMILESC1=CONCCCC1
InChIInChI=1S/C6H11NO/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2
InChIKeyINVOSXCULFCGQV-UHFFFAOYSA-N
XLogP1.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-oxazocine?
The IUPAC name of 3,4,5,6-tetrahydro-2H-oxazocine (CID 67177813) is 3,4,5,6-tetrahydro-2H-oxazocine.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-oxazocine?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-oxazocine is C1=CONCCCC1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-oxazocine?
The InChIKey is INVOSXCULFCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2.
What are the key properties of 3,4,5,6-tetrahydro-2H-oxazocine?
3,4,5,6-tetrahydro-2H-oxazocine has a molecular weight of 113.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-oxazocine is sourced from PubChem (CID 67177813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).