4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid

C10H11NO4 — CID 43162006

IUPAC4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCO2)c[nH]1
InChIInChI=1S/C10H11NO4/c12-9(8-2-1-3-15-8)6-4-7(10(13)14)11-5-6/h4-5,8,11H,1-3H2,(H,13,14)
InChIKeyCIKPLUPGIWQBEM-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.07
Rot. Bonds3

About 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid

4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 43162006) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID43162006
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCO2)c[nH]1
InChIInChI=1S/C10H11NO4/c12-9(8-2-1-3-15-8)6-4-7(10(13)14)11-5-6/h4-5,8,11H,1-3H2,(H,13,14)
InChIKeyCIKPLUPGIWQBEM-UHFFFAOYSA-N
XLogP1.07
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid (CID 43162006) is 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(C(=O)C2CCCO2)c[nH]1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is CIKPLUPGIWQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(8-2-1-3-15-8)6-4-7(10(13)14)11-5-6/h4-5,8,11H,1-3H2,(H,13,14).
What are the key properties of 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43162006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).