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

C16H24N2O3 — CID 4731061

IUPAC1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC12CC(C)(CC(C)(C(=O)N3CCCC3)C1)C(=O)NC2=O
InChIInChI=1S/C16H24N2O3/c1-14-8-15(2,12(20)17-11(14)19)10-16(3,9-14)13(21)18-6-4-5-7-18/h4-10H2,1-3H3,(H,17,19,20)
InChIKeyMEKNHYFUNDZHIC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.47
Rot. Bonds1

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

1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 4731061) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Name1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID4731061
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC12CC(C)(CC(C)(C(=O)N3CCCC3)C1)C(=O)NC2=O
InChIInChI=1S/C16H24N2O3/c1-14-8-15(2,12(20)17-11(14)19)10-16(3,9-14)13(21)18-6-4-5-7-18/h4-10H2,1-3H3,(H,17,19,20)
InChIKeyMEKNHYFUNDZHIC-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (CID 4731061) is 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is CC12CC(C)(CC(C)(C(=O)N3CCCC3)C1)C(=O)NC2=O.
What is the InChIKey of 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is MEKNHYFUNDZHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-14-8-15(2,12(20)17-11(14)19)10-16(3,9-14)13(21)18-6-4-5-7-18/h4-10H2,1-3H3,(H,17,19,20).
What are the key properties of 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 4731061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).