4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid

C14H17NO3 — CID 142888407

IUPAC4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCC(C(=O)O)CC1)c1ccncc1
InChIInChI=1S/C14H17NO3/c16-13(11-5-7-15-8-6-11)9-10-1-3-12(4-2-10)14(17)18/h5-8,10,12H,1-4,9H2,(H,17,18)
InChIKeyUUOKTFZQVKEILP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid

4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid (PubChem CID 142888407) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
PubChem CID142888407
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCC(C(=O)O)CC1)c1ccncc1
InChIInChI=1S/C14H17NO3/c16-13(11-5-7-15-8-6-11)9-10-1-3-12(4-2-10)14(17)18/h5-8,10,12H,1-4,9H2,(H,17,18)
InChIKeyUUOKTFZQVKEILP-UHFFFAOYSA-N
XLogP2.55
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid (CID 142888407) is 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid is O=C(CC1CCC(C(=O)O)CC1)c1ccncc1.
What is the InChIKey of 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid?
The InChIKey is UUOKTFZQVKEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(11-5-7-15-8-6-11)9-10-1-3-12(4-2-10)14(17)18/h5-8,10,12H,1-4,9H2,(H,17,18).
What are the key properties of 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid?
4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142888407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).