4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid

HCID 548692

Basic information

Standard SMILES
O=C(O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1
InChIKey
NIGPPPVPMJYXFY-UHFFFAOYSA-N
Molecular formula
C16H13NO4
Average molar mass
283.28 g/mol
Monoisotopic mass
283.0844579

Names & identifiers

Preferred name
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
IUPAC
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid

Names & synonyms

55099-10-04-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoic acid4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoic acid4-(3,5-Dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl)benzoic acid4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acidMFCD00415604Oprea1_140482Oprea1_457785CBDivE_005494IFLab1_003203SCHEMBL3201443
Show more names
HMS1421B13ALBB-004770BBL000190SBB047498STK274554AKOS000613857AKOS0160371614-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL}BENZOIC ACID

Database identifiers

PubChem CID
548692
Nikkaji
J1.904.242A

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records

Linked notes

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