2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H20N2O3 — CID 106390560

IUPAC2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCn1cccc1
InChIInChI=1S/C14H20N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h3-4,8-9,11-12H,1-2,5-7,10H2,(H,15,17)(H,18,19)
InChIKeyBEXMOKMXYIGECX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.50
Rot. Bonds5

About 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 106390560) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID106390560
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCn1cccc1
InChIInChI=1S/C14H20N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h3-4,8-9,11-12H,1-2,5-7,10H2,(H,15,17)(H,18,19)
InChIKeyBEXMOKMXYIGECX-UHFFFAOYSA-N
XLogP1.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 106390560) is 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCn1cccc1.
What is the InChIKey of 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is BEXMOKMXYIGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h3-4,8-9,11-12H,1-2,5-7,10H2,(H,15,17)(H,18,19).
What are the key properties of 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106390560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).