2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid

C11H15NO2 — CID 83907543

IUPAC2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid
SMILESCC(C)n1cc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H15NO2/c1-7(2)12-5-8-3-4-9(11(13)14)10(8)6-12/h5-7,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNTINRHFNCIDYKZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.18
Rot. Bonds2

About 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid (PubChem CID 83907543) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid
PubChem CID83907543
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid
SMILESCC(C)n1cc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H15NO2/c1-7(2)12-5-8-3-4-9(11(13)14)10(8)6-12/h5-7,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNTINRHFNCIDYKZ-UHFFFAOYSA-N
XLogP2.18
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid (CID 83907543) is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid is CC(C)n1cc2c(c1)C(C(=O)O)CC2.
What is the InChIKey of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid?
The InChIKey is NTINRHFNCIDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)12-5-8-3-4-9(11(13)14)10(8)6-12/h5-7,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid?
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrrole-4-carboxylic acid is sourced from PubChem (CID 83907543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).