chempirical

Tetrahydrocyclopenta[C]pyrrole-1,3(2H,3ah)-dione

C7H9NO2CAS 5763-44-0139.15 g/mol

Open in Covalent MOL file
OHNO

Properties

Molecular formula
C7H9NO2
Molar mass
139.15 g/mol
Exact mass
139.0633 Da
Melting point
90 °C
logP
0.90Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
5763-44-0
SMILES
O=C1N=C(O)C2CCCC12
InChIKey
QCWDCTDYSDJKTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)

Weigh it out

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

Names and synonyms

3 names
  • Cyclopenta[c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-
  • 1,2-Cyclopentanedicarboximide
  • 2,4-Dioxo-3-azabicyclo[3.3.0]octane

Work with Tetrahydrocyclopenta[C]pyrrole-1,3(2H,3ah)-dione

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-692 % similar Rel-(3ar,7as)-hexahydro-1H-isoindole-1,3(2H)-dione7506-66-392 % similar cis-1,2,3,6-Tetrahydrophthalimide1469-48-357 % similar 1,2,3,6-Tetrahydrophthalimide85-40-557 % similar trans-1,2-Cyclopentanedicarboxylic acid1461-97-843 % similar 3A,4,7,7A-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione3647-74-340 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-538 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 2-Amino-4-methoxyphenol20734-76-3 1-Methyl-1H-pyrrole-2-acetic acid21898-59-9

Elsewhere

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