2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid

C10H9NO5 — CID 66873663

IUPAC2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid
SMILESCOC(=O)c1cc2c(n1C(=O)O)CCC2=O
InChIInChI=1S/C10H9NO5/c1-16-9(13)7-4-5-6(2-3-8(5)12)11(7)10(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyXUVQJYDYNZYFNM-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.93
Rot. Bonds1

About 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid

2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid (PubChem CID 66873663) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid
PubChem CID66873663
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid
SMILESCOC(=O)c1cc2c(n1C(=O)O)CCC2=O
InChIInChI=1S/C10H9NO5/c1-16-9(13)7-4-5-6(2-3-8(5)12)11(7)10(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyXUVQJYDYNZYFNM-UHFFFAOYSA-N
XLogP0.93
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid (CID 66873663) is 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid is COC(=O)c1cc2c(n1C(=O)O)CCC2=O.
What is the InChIKey of 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid?
The InChIKey is XUVQJYDYNZYFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-16-9(13)7-4-5-6(2-3-8(5)12)11(7)10(14)15/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid?
2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1-carboxylic acid is sourced from PubChem (CID 66873663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).