2,3,4,5,6,7-hexahydrooxazonine

C7H13NO — CID 69075682

IUPAC2,3,4,5,6,7-hexahydrooxazonine
SMILESC1=CONCCCCC1
InChIInChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2
InChIKeyPXEPONNJSGXOTC-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds

About 2,3,4,5,6,7-hexahydrooxazonine

2,3,4,5,6,7-hexahydrooxazonine (PubChem CID 69075682) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydrooxazonine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydrooxazonine
PubChem CID69075682
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3,4,5,6,7-hexahydrooxazonine
SMILESC1=CONCCCCC1
InChIInChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2
InChIKeyPXEPONNJSGXOTC-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydrooxazonine?
The IUPAC name of 2,3,4,5,6,7-hexahydrooxazonine (CID 69075682) is 2,3,4,5,6,7-hexahydrooxazonine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydrooxazonine?
The canonical SMILES for 2,3,4,5,6,7-hexahydrooxazonine is C1=CONCCCCC1.
What is the InChIKey of 2,3,4,5,6,7-hexahydrooxazonine?
The InChIKey is PXEPONNJSGXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2.
What are the key properties of 2,3,4,5,6,7-hexahydrooxazonine?
2,3,4,5,6,7-hexahydrooxazonine has a molecular weight of 127.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydrooxazonine is sourced from PubChem (CID 69075682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).