3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-

HCID 39551

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Basic information

CAS: 49832-49-7
Standard SMILES: CC12CCC(C(=O)N(CC#CCN3CCCC3)C1=O)C2(C)C
InChIKey: BGHGOJZCHIPOHC-UHFFFAOYSA-N
Molecular formula: C18H26N2O2
Average molar mass: 302.4 g/mol
Monoisotopic mass: 302.19942808

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-
IUPAC: 1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
English name: 3-[4-(1-Pyrrolidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Molecular formula: C18H26N2O2
Molecular weight: 302.41

Names & synonyms

BRN 149016749832-49-73-(4-(1-Pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-2,4-dione3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-3-[4-(1-Pyrrolidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dioneRefChem:276753DTXSID809644341,8,8-Trimethyl-3-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]-3-azabicyclo[3.2.1]octane-2,4-dione3-Azabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-3-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-

Database identifiers

CAS: 49832-49-7
PubChem CID: 39551
DTXSID: DTXSID80964434
Nikkaji: J62.359H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 562

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