azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)

C13H22N2O8Pt+2 — CID 10256412

About azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)

azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+) (PubChem CID 10256412) has the molecular formula C13H22N2O8Pt+2 and a molecular weight of 529.40 g/mol. Its IUPAC name is azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+).

Molecular Properties

• Compound Name: azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)
• PubChem CID: 10256412
• Molecular Formula: C13H22N2O8Pt+2
• Molecular Weight: 529.40 g/mol
• Exact Mass: 529.10
• IUPAC Name: azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)
• SMILES: N.N.O=C(O)/C=C\C(O)O.O=C(O)C1C2C=CC(C2)C1C(=O)O.[Pt+2]
• InChI: InChI=1S/C9H10O4.C4H6O4.2H3N.Pt/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;5-3(6)1-2-4(7)8;;;/h1-2,4-7H,3H2,(H,10,11)(H,12,13);1-3,5-6H,(H,7,8);2*1H3;/q;;;;+2/b;2-1-
• InChIKey: LVKIFFSAWIIRGF-ZMKTYRQVSA-N
• XLogP: -0.15
• TPSA: 222.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.40
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)?

The IUPAC name of azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+) (CID 10256412) is azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+).

What is the SMILES notation for azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)?

The canonical SMILES for azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+) is N.N.O=C(O)/C=C\C(O)O.O=C(O)C1C2C=CC(C2)C1C(=O)O.[Pt+2].

What is the InChIKey of azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)?

The InChIKey is LVKIFFSAWIIRGF-ZMKTYRQVSA-N. The full InChI is InChI=1S/C9H10O4.C4H6O4.2H3N.Pt/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;5-3(6)1-2-4(7)8;;;/h1-2,4-7H,3H2,(H,10,11)(H,12,13);1-3,5-6H,(H,7,8);2*1H3;/q;;;;+2/b;2-1-;;;.

What are the key properties of azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+)?

azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+) has a molecular weight of 529.40 g/mol, XLogP of -0.15, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for azane;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(Z)-4,4-dihydroxybut-2-enoic acid;platinum(2+) is sourced from PubChem (CID 10256412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).