1-pyrrol-1-ylcyclopentane-1-carboxylic acid

C10H13NO2 — CID 61291603

IUPAC1-pyrrol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccc2)CCCC1
InChIInChI=1S/C10H13NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyALVZLIHRWQLKTP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.84
Rot. Bonds2

About 1-pyrrol-1-ylcyclopentane-1-carboxylic acid

1-pyrrol-1-ylcyclopentane-1-carboxylic acid (PubChem CID 61291603) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-pyrrol-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrrol-1-ylcyclopentane-1-carboxylic acid
PubChem CID61291603
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-pyrrol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccc2)CCCC1
InChIInChI=1S/C10H13NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyALVZLIHRWQLKTP-UHFFFAOYSA-N
XLogP1.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-pyrrol-1-ylcyclopentane-1-carboxylic acid (CID 61291603) is 1-pyrrol-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-pyrrol-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-pyrrol-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(n2cccc2)CCCC1.
What is the InChIKey of 1-pyrrol-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is ALVZLIHRWQLKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h3-4,7-8H,1-2,5-6H2,(H,12,13).
What are the key properties of 1-pyrrol-1-ylcyclopentane-1-carboxylic acid?
1-pyrrol-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 61291603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).