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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
ethane;1-ethyl-4-hydroxy-4-methylpiperidine-2,6-dione
CID 143012313
8-ethyl-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167523
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489526
8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 106253808
3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
CID 89228585
4-ethylmorpholine-3,5-dione
CID 15506865
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746

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).