3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

C11H15NO2 — CID 83818293

IUPAC3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)[nH]c2c1CCC2
InChIInChI=1S/C11H15NO2/c1-6(2)9-7-4-3-5-8(7)12-10(9)11(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeySJDMKNYBTLKABK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.33
Rot. Bonds2

About 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 83818293) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID83818293
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)[nH]c2c1CCC2
InChIInChI=1S/C11H15NO2/c1-6(2)9-7-4-3-5-8(7)12-10(9)11(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeySJDMKNYBTLKABK-UHFFFAOYSA-N
XLogP2.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 83818293) is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is CC(C)c1c(C(=O)O)[nH]c2c1CCC2.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is SJDMKNYBTLKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6(2)9-7-4-3-5-8(7)12-10(9)11(13)14/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 83818293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).