1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione

C23H24N2O3 — CID 86265591

IUPAC1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)19-13-17-8-9-18(14-19)24(17)23(28)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-7,17-19H,8-14H2
InChIKeyXMBMOQCANMKYKH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.05
Rot. Bonds3

About 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione

1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione (PubChem CID 86265591) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
PubChem CID86265591
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)19-13-17-8-9-18(14-19)24(17)23(28)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-7,17-19H,8-14H2
InChIKeyXMBMOQCANMKYKH-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
CID 122255438
1-[8-[(E)-3-phenylprop-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 86265578
1-[(1R,5S)-8-(2-cyclopentylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 99990924
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-fluorophenyl)ethanone
CID 63762253
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
CID 142761893
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-naphthalen-1-ylethanone
CID 121021514
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione (CID 86265591) is 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The InChIKey is XMBMOQCANMKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)19-13-17-8-9-18(14-19)24(17)23(28)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-7,17-19H,8-14H2.
What are the key properties of 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86265591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).