(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)

C9H18NO2Rb — CID 156741367

IUPAC(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)
SMILESCC.CC(=O)C1([NH-])CCOCC1.[Rb+]
InChIInChI=1S/C7H12NO2.C2H6.Rb/c1-6(9)7(8)2-4-10-5-3-7;1-2;/h8H,2-5H2,1H3;1-2H3;/q-1;;+1
InChIKeyYUAPETMTDAGWKQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP-0.79
Rot. Bonds1

About (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)

(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+) (PubChem CID 156741367) has the molecular formula C9H18NO2Rb and a molecular weight of 257.72 g/mol. Its IUPAC name is (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+).

Molecular Properties

Compound Name(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)
PubChem CID156741367
Molecular FormulaC9H18NO2Rb
Molecular Weight257.72 g/mol
Exact Mass257.05
IUPAC Name(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)
SMILESCC.CC(=O)C1([NH-])CCOCC1.[Rb+]
InChIInChI=1S/C7H12NO2.C2H6.Rb/c1-6(9)7(8)2-4-10-5-3-7;1-2;/h8H,2-5H2,1H3;1-2H3;/q-1;;+1
InChIKeyYUAPETMTDAGWKQ-UHFFFAOYSA-N
XLogP-0.79
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)?
The IUPAC name of (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+) (CID 156741367) is (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+).
What is the SMILES notation for (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)?
The canonical SMILES for (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+) is CC.CC(=O)C1([NH-])CCOCC1.[Rb+].
What is the InChIKey of (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)?
The InChIKey is YUAPETMTDAGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2.C2H6.Rb/c1-6(9)7(8)2-4-10-5-3-7;1-2;/h8H,2-5H2,1H3;1-2H3;/q-1;;+1.
What are the key properties of (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+)?
(4-acetyloxan-4-yl)azanide;ethane;rubidium(1+) has a molecular weight of 257.72 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxan-4-yl)azanide;ethane;rubidium(1+) is sourced from PubChem (CID 156741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).