3-(Aminomethyl)-2,3-dihydro-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one

HCID 19003662

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Basic information

CAS: 159732-48-6
Standard SMILES: Cc1cc(=O)oc2c(C)c3c(cc12)C(CN)C(C)O3
InChIKey: ZCFHDKQIRDZVNM-UHFFFAOYSA-N
Molecular formula: C15H17NO3
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.1208434

Names & identifiers

Preferred name: 3-(Aminomethyl)-2,3-dihydro-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
IUPAC: 3-(aminomethyl)-2,5,9-trimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one

Names & synonyms

SCHEMBL9132710DTXSID2011401063-(Aminomethyl)-2,3-dihydro-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one159732-48-63-(Aminomethyl)-2,5,9-trimethyl-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one

Database identifiers

CAS: 159732-48-6
PubChem CID: 19003662
DTXSID: DTXSID201140106

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 420

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