oxadiazocane

C5H12N2O — CID 21113760

IUPACoxadiazocane
SMILESC1CCNNOCC1
InChIInChI=1S/C5H12N2O/c1-2-4-6-7-8-5-3-1/h6-7H,1-5H2
InChIKeyNOTXMSNCKKEVHP-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.20
Rot. Bonds

About oxadiazocane

oxadiazocane (PubChem CID 21113760) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is oxadiazocane.

Molecular Properties

Compound Nameoxadiazocane
PubChem CID21113760
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameoxadiazocane
SMILESC1CCNNOCC1
InChIInChI=1S/C5H12N2O/c1-2-4-6-7-8-5-3-1/h6-7H,1-5H2
InChIKeyNOTXMSNCKKEVHP-UHFFFAOYSA-N
XLogP0.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxadiazocane?
The IUPAC name of oxadiazocane (CID 21113760) is oxadiazocane.
What is the SMILES notation for oxadiazocane?
The canonical SMILES for oxadiazocane is C1CCNNOCC1.
What is the InChIKey of oxadiazocane?
The InChIKey is NOTXMSNCKKEVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-4-6-7-8-5-3-1/h6-7H,1-5H2.
What are the key properties of oxadiazocane?
oxadiazocane has a molecular weight of 116.16 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazocane is sourced from PubChem (CID 21113760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).