1-Furfurylpyrrole

C9H9NOCAS 1438-94-4147.18 g/mol

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Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Density
1.078–1.084 g/mL
Boiling point
76–78 °C
logP
2.13Crippen estimate
Polar surface area
18.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,593 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1438-94-4
SMILES
c1coc(Cn2cccc2)c1
InChIKey
BTBFUBUCCJKJOZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 1H-Pyrrole, 1-(2-furanylmethyl)-
  • Pyrrole, 1-furfuryl-
  • 1-(2-Furanylmethyl)-1H-pyrrole
  • N-(2-Furfuryl)pyrrole
  • N-Furfurylpyrrole
  • 1-(2-Furylmethyl)pyrrole
  • N-(2-Furylmethyl)-1H-pyrrole
  • 1-(Furan-2-ylmethyl)pyrrole

Work with 1-Furfurylpyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Difurfuryl sulfide13678-67-646 % similar 2-Ethylfuran3208-16-046 % similar Difurfuryl disulfide4437-20-146 % similar 2-Furanmethanamine617-89-046 % similar Furfuryl alcohol98-00-046 % similar Furan-2-ylmethanethiol98-02-246 % similar 2-Butylfuran4466-24-445 % similar 2-Propylfuran4229-91-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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