4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C14H21NO2 — CID 154985598

IUPAC4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCCC(C)(C)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)15-12(16)10-8-5-6-9(7-8)11(10)13(15)17/h8-11H,4-7H2,1-3H3
InChIKeyDENMHZJBZUQIKP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 154985598) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID154985598
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCCC(C)(C)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)15-12(16)10-8-5-6-9(7-8)11(10)13(15)17/h8-11H,4-7H2,1-3H3
InChIKeyDENMHZJBZUQIKP-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
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 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 154985598) is 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CCC(C)(C)N1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is DENMHZJBZUQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(2,3)15-12(16)10-8-5-6-9(7-8)11(10)13(15)17/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 154985598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).