1-carbamoylpyrrole-2-carboxylic acid

C6H6N2O3 — CID 69235908

IUPAC1-carbamoylpyrrole-2-carboxylic acid
SMILESNC(=O)n1cccc1C(=O)O
InChIInChI=1S/C6H6N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h1-3H,(H2,7,11)(H,9,10)
InChIKeyRRRBGXNXFLSUKP-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.11
Rot. Bonds1

About 1-carbamoylpyrrole-2-carboxylic acid

1-carbamoylpyrrole-2-carboxylic acid (PubChem CID 69235908) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-carbamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-carbamoylpyrrole-2-carboxylic acid
PubChem CID69235908
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name1-carbamoylpyrrole-2-carboxylic acid
SMILESNC(=O)n1cccc1C(=O)O
InChIInChI=1S/C6H6N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h1-3H,(H2,7,11)(H,9,10)
InChIKeyRRRBGXNXFLSUKP-UHFFFAOYSA-N
XLogP0.11
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoylpyrrole-2-carboxylic acid?
The IUPAC name of 1-carbamoylpyrrole-2-carboxylic acid (CID 69235908) is 1-carbamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-carbamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-carbamoylpyrrole-2-carboxylic acid is NC(=O)n1cccc1C(=O)O.
What is the InChIKey of 1-carbamoylpyrrole-2-carboxylic acid?
The InChIKey is RRRBGXNXFLSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h1-3H,(H2,7,11)(H,9,10).
What are the key properties of 1-carbamoylpyrrole-2-carboxylic acid?
1-carbamoylpyrrole-2-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 69235908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).