8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

C15H21N3O2 — CID 72871968

IUPAC8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nccn1CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-12-16-6-7-17(12)8-9-18-13(19)10-15(11-14(18)20)4-2-3-5-15/h6-7H,2-5,8-11H2,1H3
InChIKeyRFFSWCWBWCPSGZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds3

About 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 72871968) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID72871968
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nccn1CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-12-16-6-7-17(12)8-9-18-13(19)10-15(11-14(18)20)4-2-3-5-15/h6-7H,2-5,8-11H2,1H3
InChIKeyRFFSWCWBWCPSGZ-UHFFFAOYSA-N
XLogP1.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 72871968) is 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is Cc1nccn1CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is RFFSWCWBWCPSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-16-6-7-17(12)8-9-18-13(19)10-15(11-14(18)20)4-2-3-5-15/h6-7H,2-5,8-11H2,1H3.
What are the key properties of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 275.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 72871968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).