(8Z)-2,3,4,5,6,7-hexahydrooxazonine

C7H13NO — CID 69075680

IUPAC(8Z)-2,3,4,5,6,7-hexahydrooxazonine
SMILESC1=C\ONCCCCC/1
InChIInChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-
InChIKeyPXEPONNJSGXOTC-ALCCZGGFSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds

About (8Z)-2,3,4,5,6,7-hexahydrooxazonine

(8Z)-2,3,4,5,6,7-hexahydrooxazonine (PubChem CID 69075680) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (8Z)-2,3,4,5,6,7-hexahydrooxazonine.

Molecular Properties

Compound Name(8Z)-2,3,4,5,6,7-hexahydrooxazonine
PubChem CID69075680
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(8Z)-2,3,4,5,6,7-hexahydrooxazonine
SMILESC1=C\ONCCCCC/1
InChIInChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-
InChIKeyPXEPONNJSGXOTC-ALCCZGGFSA-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 (8Z)-2,3,4,5,6,7-hexahydrooxazonine?
The IUPAC name of (8Z)-2,3,4,5,6,7-hexahydrooxazonine (CID 69075680) is (8Z)-2,3,4,5,6,7-hexahydrooxazonine.
What is the SMILES notation for (8Z)-2,3,4,5,6,7-hexahydrooxazonine?
The canonical SMILES for (8Z)-2,3,4,5,6,7-hexahydrooxazonine is C1=C\ONCCCCC/1.
What is the InChIKey of (8Z)-2,3,4,5,6,7-hexahydrooxazonine?
The InChIKey is PXEPONNJSGXOTC-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-.
What are the key properties of (8Z)-2,3,4,5,6,7-hexahydrooxazonine?
(8Z)-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 (8Z)-2,3,4,5,6,7-hexahydrooxazonine is sourced from PubChem (CID 69075680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).