1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid

C11H15NO3 — CID 83820597

IUPAC1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
SMILESO=C(O)C1=CN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C11H15NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h7,9H,1-6H2,(H,14,15)
InChIKeyOADGHCMWKXVBCU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.52
Rot. Bonds2

About 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid

1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid (PubChem CID 83820597) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
PubChem CID83820597
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
SMILESO=C(O)C1=CN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C11H15NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h7,9H,1-6H2,(H,14,15)
InChIKeyOADGHCMWKXVBCU-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid (CID 83820597) is 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid is O=C(O)C1=CN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid?
The InChIKey is OADGHCMWKXVBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h7,9H,1-6H2,(H,14,15).
What are the key properties of 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid?
1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid is sourced from PubChem (CID 83820597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).