bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide

C10H10O5 — CID 88516165

IUPACbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)O.[C-]#[O+]
InChIInChI=1S/C9H10O4.CO/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;1-2/h1-2,4-7H,3H2,(H,10,11)(H,12,13);
InChIKeyMSGCPVYPOOHWGU-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.56
Rot. Bonds2

About bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide

bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide (PubChem CID 88516165) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide
PubChem CID88516165
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namebicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)O.[C-]#[O+]
InChIInChI=1S/C9H10O4.CO/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;1-2/h1-2,4-7H,3H2,(H,10,11)(H,12,13);
InChIKeyMSGCPVYPOOHWGU-UHFFFAOYSA-N
XLogP0.56
TPSA94.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;silver
CID 58884336
(1S,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 7218089
(2R,3R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59710721
(1S,2R,4R)-3-propanoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130996457
(1R,2S,3R,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98151063
(2R,3R)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid
CID 89358150
(1S,2R,3S,4R)-3-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 95567551
3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22620607
(1R,2S,3R,4R)-3-[bis(carboxymethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98618799
(1R,2S,3R,4S)-3-[4-[[(1R,2S,3R,4R)-3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]butylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100730550
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid
CID 90218986

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide (CID 88516165) is bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide is O=C(O)C1C2C=CC(C2)C1C(=O)O.[C-]#[O+].
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide?
The InChIKey is MSGCPVYPOOHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.CO/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;1-2/h1-2,4-7H,3H2,(H,10,11)(H,12,13);.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide?
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide has a molecular weight of 210.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide is sourced from PubChem (CID 88516165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).