ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione

C13H23NO2 — CID 142262088

IUPACethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC.CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C11H17NO2.C2H6/c1-12-9(13)7-11(8-10(12)14)5-3-2-4-6-11;1-2/h2-8H2,1H3;1-2H3
InChIKeyZHDXADPTOYWNAX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.74
Rot. Bonds

About ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione

ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 142262088) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Nameethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID142262088
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC.CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C11H17NO2.C2H6/c1-12-9(13)7-11(8-10(12)14)5-3-2-4-6-11;1-2/h2-8H2,1H3;1-2H3
InChIKeyZHDXADPTOYWNAX-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.74
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;3-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione (CID 142262088) is ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione is CC.CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is ZHDXADPTOYWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-12-9(13)7-11(8-10(12)14)5-3-2-4-6-11;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione?
ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 225.33 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 142262088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).