ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione

C11H19NO2 — CID 143100765

IUPACethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione
SMILESCC.CCN1C(=O)CC2(CC2)CC1=O
InChIInChI=1S/C9H13NO2.C2H6/c1-2-10-7(11)5-9(3-4-9)6-8(10)12;1-2/h2-6H2,1H3;1-2H3
InChIKeyKCDLAYVAPQHRET-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds1

About ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione

ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione (PubChem CID 143100765) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione.

Molecular Properties

Compound Nameethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione
PubChem CID143100765
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione
SMILESCC.CCN1C(=O)CC2(CC2)CC1=O
InChIInChI=1S/C9H13NO2.C2H6/c1-2-10-7(11)5-9(3-4-9)6-8(10)12;1-2/h2-6H2,1H3;1-2H3
InChIKeyKCDLAYVAPQHRET-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione?
The IUPAC name of ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione (CID 143100765) is ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione.
What is the SMILES notation for ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione?
The canonical SMILES for ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione is CC.CCN1C(=O)CC2(CC2)CC1=O.
What is the InChIKey of ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione?
The InChIKey is KCDLAYVAPQHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c1-2-10-7(11)5-9(3-4-9)6-8(10)12;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione?
ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione has a molecular weight of 197.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione is sourced from PubChem (CID 143100765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).