1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid

C10H11N3O2 — CID 164650788

IUPAC1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)nc1-c1ccc[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-13-6-8(10(14)15)12-9(13)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,14,15)
InChIKeyKTOOFDSIDAAYLK-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.60
Rot. Bonds3

About 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid

1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid (PubChem CID 164650788) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid
PubChem CID164650788
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)nc1-c1ccc[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-13-6-8(10(14)15)12-9(13)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,14,15)
InChIKeyKTOOFDSIDAAYLK-UHFFFAOYSA-N
XLogP1.60
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid (CID 164650788) is 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid is CCn1cc(C(=O)O)nc1-c1ccc[nH]1.
What is the InChIKey of 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid?
The InChIKey is KTOOFDSIDAAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-13-6-8(10(14)15)12-9(13)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid?
1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-pyrrol-2-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 164650788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).