1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid

C9H13N3O2 — CID 117189298

IUPAC1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1N1CCCC1
InChIInChI=1S/C9H13N3O2/c1-11-6-7(8(13)14)10-9(11)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,13,14)
InChIKeySAIQAZXPOSKNFB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds2

About 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid

1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid (PubChem CID 117189298) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
PubChem CID117189298
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1N1CCCC1
InChIInChI=1S/C9H13N3O2/c1-11-6-7(8(13)14)10-9(11)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,13,14)
InChIKeySAIQAZXPOSKNFB-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid?
The IUPAC name of 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid (CID 117189298) is 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid is Cn1cc(C(=O)O)nc1N1CCCC1.
What is the InChIKey of 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid?
The InChIKey is SAIQAZXPOSKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-6-7(8(13)14)10-9(11)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid?
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 117189298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).