Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione

C₇H₉NO₂CAS 5763-44-0139.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation28.6% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H318 Causes serious eye damage57.1% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers
H412 Harmful to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

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