5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid

C11H10N2O3 — CID 145473584

IUPAC5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(=O)c2ccc[nH]2)[nH]1
InChIInChI=1S/C11H10N2O3/c14-10(8-2-1-5-12-8)6-7-3-4-9(13-7)11(15)16/h1-5,12-13H,6H2,(H,15,16)
InChIKeyYJHPRTLKWVVFOQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.47
Rot. Bonds4

About 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid

5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 145473584) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid
PubChem CID145473584
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(=O)c2ccc[nH]2)[nH]1
InChIInChI=1S/C11H10N2O3/c14-10(8-2-1-5-12-8)6-7-3-4-9(13-7)11(15)16/h1-5,12-13H,6H2,(H,15,16)
InChIKeyYJHPRTLKWVVFOQ-UHFFFAOYSA-N
XLogP1.47
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid (CID 145473584) is 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(CC(=O)c2ccc[nH]2)[nH]1.
What is the InChIKey of 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is YJHPRTLKWVVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(8-2-1-5-12-8)6-7-3-4-9(13-7)11(15)16/h1-5,12-13H,6H2,(H,15,16).
What are the key properties of 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid?
5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 145473584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).