4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid

C11H15NO2 — CID 116962969

IUPAC4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc[nH]c2)CC1
InChIInChI=1S/C11H15NO2/c13-11(14)9-3-1-8(2-4-9)10-5-6-12-7-10/h5-9,12H,1-4H2,(H,13,14)
InChIKeyILMYOZOVJCECHR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.37
Rot. Bonds2

About 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid

4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 116962969) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID116962969
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc[nH]c2)CC1
InChIInChI=1S/C11H15NO2/c13-11(14)9-3-1-8(2-4-9)10-5-6-12-7-10/h5-9,12H,1-4H2,(H,13,14)
InChIKeyILMYOZOVJCECHR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid (CID 116962969) is 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2cc[nH]c2)CC1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ILMYOZOVJCECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)9-3-1-8(2-4-9)10-5-6-12-7-10/h5-9,12H,1-4H2,(H,13,14).
What are the key properties of 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116962969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).