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

C11H15NO2 — CID 82605070

IUPAC1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc[nH]c2)CCCCC1
InChIInChI=1S/C11H15NO2/c13-10(14)11(5-2-1-3-6-11)9-4-7-12-8-9/h4,7-8,12H,1-3,5-6H2,(H,13,14)
InChIKeyBYRZYSBUTAIFAB-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds2

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

1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 82605070) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID82605070
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc[nH]c2)CCCCC1
InChIInChI=1S/C11H15NO2/c13-10(14)11(5-2-1-3-6-11)9-4-7-12-8-9/h4,7-8,12H,1-3,5-6H2,(H,13,14)
InChIKeyBYRZYSBUTAIFAB-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid (CID 82605070) is 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc[nH]c2)CCCCC1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BYRZYSBUTAIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10(14)11(5-2-1-3-6-11)9-4-7-12-8-9/h4,7-8,12H,1-3,5-6H2,(H,13,14).
What are the key properties of 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid?
1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82605070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).