1-[2-(3-Methoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione

HCID 336540

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Basic information

CAS: 2118-99-2
Standard SMILES: COc1cccc(CCN2C(=O)CCC3=C2CCC3=O)c1
InChIKey: HUYFBTCRRNBTHS-UHFFFAOYSA-N
Molecular formula: C17H19NO3
Average molar mass: 285.34 g/mol
Monoisotopic mass: 285.13649347

Names & identifiers

Preferred name: 1-[2-(3-Methoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione
IUPAC: 1-[2-(3-methoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione

Names & synonyms

MLS0031710952118-99-2NSC351288CHEMBL2359277DTXSID70319838NSC-351288SMR0018750041-[2-(3-Methoxyphenyl)ethyl]-3,4,6,7-tetrahydro-1H-cyclopenta[b]pyridine-2,5-dione

Database identifiers

CAS: 2118-99-2
PubChem CID: 336540
DTXSID: DTXSID70319838
ChEMBL: CHEMBL2359277

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 469

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