1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid

C12H17NO2 — CID 83533011

IUPAC1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(C(C)C)n1C1CC1
InChIInChI=1S/C12H17NO2/c1-7(2)11-6-10(12(14)15)8(3)13(11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyLYRGQUFBVNSILP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.95
Rot. Bonds3

About 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid

1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid (PubChem CID 83533011) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
PubChem CID83533011
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(C(C)C)n1C1CC1
InChIInChI=1S/C12H17NO2/c1-7(2)11-6-10(12(14)15)8(3)13(11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyLYRGQUFBVNSILP-UHFFFAOYSA-N
XLogP2.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid (CID 83533011) is 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)cc(C(C)C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid?
The InChIKey is LYRGQUFBVNSILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7(2)11-6-10(12(14)15)8(3)13(11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid?
1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid has a molecular weight of 207.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 83533011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).