Coumarin, 3-(1-pyrrolidinylcarbonyl)-
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Basic information
- CAS
18144-50-8- Standard SMILES
O=C(c1cc2ccccc2oc1=O)N1CCCC1- InChIKey
RPGFNKRNXYKRNZ-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Coumarin, 3-(1-pyrrolidinylcarbonyl)-
- IUPAC
- 3-(pyrrolidine-1-carbonyl)chromen-2-one
- English name
- 3-(1-Pyrrolidinylcarbonyl)coumarin
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
18144-50-83-(1-Pyrrolidinylcarbonyl)coumarinCOUMARIN, 3-(1-PYRROLIDINYLCARBONYL)-3-Coumarincarbonyl pyrrolidideBRN 1319093DTXSID801711465-20-01-00486 (Beilstein Handbook Reference)RefChem:334391DTXCID00936373-(pyrrolidine-1-carbonyl)-2H-chromen-2-one3-(pyrrolidine-1-carbonyl)chromen-2-oneCBMicro_031047
Show more names
2H-1-Benzopyran-2-one, 3-(1-pyrrolidinylcarbonyl)-
MixCom6_001351Oprea1_080147MLS000061479CHEMBL1706669HMS1690B21HMS2342H12STK4015723-(pyrrolidinylcarbonyl)chromen-2-one
Database identifiers
- CAS
18144-50-8- PubChem CID
- 28912
- DTXSID
DTXSID80171146- ChEMBL
CHEMBL1706669- Nikkaji
- J118.431H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
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Compound notes
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