4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid

C11H13NO3 — CID 43162012

IUPAC4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCC2)c[nH]1
InChIInChI=1S/C11H13NO3/c13-10(7-3-1-2-4-7)8-5-9(11(14)15)12-6-8/h5-7,12H,1-4H2,(H,14,15)
InChIKeyUSZHWBFJQCQJEW-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.09
Rot. Bonds3

About 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid

4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 43162012) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID43162012
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCC2)c[nH]1
InChIInChI=1S/C11H13NO3/c13-10(7-3-1-2-4-7)8-5-9(11(14)15)12-6-8/h5-7,12H,1-4H2,(H,14,15)
InChIKeyUSZHWBFJQCQJEW-UHFFFAOYSA-N
XLogP2.09
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 67487545
4-(1,1-dioxothiolane-3-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 64911099
4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162006
ethyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 59576360
[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone
CID 82504980
4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
CID 83154757
[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-cyclohexylmethanone
CID 6987007
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
CID 1489186
4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 130553027

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid (CID 43162012) is 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(C(=O)C2CCCC2)c[nH]1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is USZHWBFJQCQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10(7-3-1-2-4-7)8-5-9(11(14)15)12-6-8/h5-7,12H,1-4H2,(H,14,15).
What are the key properties of 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid?
4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43162012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).