Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-

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Basic information

CAS: 18186-67-9
Standard SMILES: O=C(Cc1cc2ccccc2oc1=O)N1CCCC1
InChIKey: ATMOOXXFMHQVMN-UHFFFAOYSA-N
Molecular formula: C15H15NO3
Average molar mass: 257.28 g/mol
Monoisotopic mass: 257.10519334

Names & identifiers

Preferred name: Coumarin, 3-((1-pyrrolidinylcarbonyl)methyl)-
IUPAC: 3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
English name: 3-[(1-Pyrrolidinylcarbonyl)methyl]coumarin
Molecular formula: C15H15NO3
Molecular weight: 257.28

Names & synonyms

18186-67-9COUMARIN, 3-((1-PYRROLIDINYLCARBONYL)METHYL)-3-((1-Pyrrolidinylcarbonyl)methyl)coumarinDTXSID70171195RefChem:334383DTXCID50936863-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)-2H-chromen-2-one3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-chromen-2-one3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one3-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1-benzopyran-2-one3-[(1-Pyrrolidinylcarbonyl)methyl]coumarin2H-1-Benzopyran-2-one, 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-

Database identifiers

CAS: 18186-67-9
PubChem CID: 28938
DTXSID: DTXSID70171195
Nikkaji: J118.432F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 410

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Compound notes

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