1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione

C17H26N2O3 — CID 4711374

IUPAC1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCN1C(=O)C2(C)CC(C)(C(=O)N3CCCC3)CC(C)(C2)C1=O
InChIInChI=1S/C17H26N2O3/c1-15-9-16(2,13(21)18(4)12(15)20)11-17(3,10-15)14(22)19-7-5-6-8-19/h5-11H2,1-4H3
InChIKeyAINWSTQRKHZOTH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.81
Rot. Bonds1

About 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione

1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 4711374) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID4711374
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCN1C(=O)C2(C)CC(C)(C(=O)N3CCCC3)CC(C)(C2)C1=O
InChIInChI=1S/C17H26N2O3/c1-15-9-16(2,13(21)18(4)12(15)20)11-17(3,10-15)14(22)19-7-5-6-8-19/h5-11H2,1-4H3
InChIKeyAINWSTQRKHZOTH-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (CID 4711374) is 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is CN1C(=O)C2(C)CC(C)(C(=O)N3CCCC3)CC(C)(C2)C1=O.
What is the InChIKey of 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is AINWSTQRKHZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-15-9-16(2,13(21)18(4)12(15)20)11-17(3,10-15)14(22)19-7-5-6-8-19/h5-11H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 4711374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).