1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one

HCID 20505166CAS 40107-95-7

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Grundinformationen

Standard-SMILES: O=C1NCc2ccncc21
InChIKey: ROSODFDWJFAKQI-UHFFFAOYSA-N
Summenformel: C7H6N2O
Durchschnittliche Molmasse: 134,14 g/mol
Monoisotopische Masse: 134,04801281

Namen und Bezeichner

Bevorzugter Name: 1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one
IUPAC: 1,2-dihydropyrrolo[3,4-c]pyridin-3-one
Englischer Name: 1H-Pyrrolo[3,4-c]pyridin-3(2H)-one
Summenformel: C7H6N2O
Molmasse: 134.14

Namen und Synonyme

40107-95-71,2-DIHYDRO-3H-PYRROLO[3,4-C]PYRIDIN-3-ONEDTXSID706082141,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-oneRefChem:215979DTXCID605589711H-Pyrrolo[3,4-c]pyridin-3(2H)-one1,2-dihydropyrrolo[3,4-c]pyridin-3-one1H,2H,3H-PYRROLO[3,4-C]PYRIDIN-3-ONEMFCD129237781H,2H-PYRROLO[3,4-C]PYRIDIN-3-ONE3H-Pyrrolo[3,4-c]pyridin-3-one, 1,2-dihydro-

Weitere Namen anzeigen

1,2-Dihydro-3H-pyrrolo[3,...1H-Pyrrolo[3,4-c]pyridin-3(2H)1H-pyridine[3,4-C]benzopyridine-3(2H)-one1. 1,2-Dihydro-3H-pyrrolo[3,4-c]pyridin-3-one

3H-Pyrrolo[3,4-c]pyridin-3-one,1,2-dihydro-1,2-DIHYDRO-PYRROLO[3,4-C]PYRIDIN-3-ONE1,2-DIHYDRO-SCHEMBL148437CHEMBL2064705SCHEMBL15332986SCHEMBL28608447ROSODFDWJFAKQI-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 40107-95-7
PubChem CID: 20505166
DTXSID: DTXSID70608214
ChEMBL: CHEMBL2064705
EC Number: 981-015-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 42 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Siedepunkt: 407 · 407.0±34.0 °C(Predicted)
Dichte: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.37 · 12.37±0.20(Predicted)
InChI: InChI=1S/C7H6N2O/c10-7-6-4-8-2-1-5(6)3-9-7/h1-2,4H,3H2,(H,9,10)
InChIKey: ROSODFDWJFAKQI-UHFFFAOYSA-N
SMILES: C1=NC=CC2CNC(=O)C1=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.