cyclohexyl 2-pyridin-2-ylpropanoate

C14H19NO2 — CID 21278953

IUPACcyclohexyl 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccccn1
InChIInChI=1S/C14H19NO2/c1-11(13-9-5-6-10-15-13)14(16)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyRTGKSBPSGAPJSF-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.06
Rot. Bonds3

About cyclohexyl 2-pyridin-2-ylpropanoate

cyclohexyl 2-pyridin-2-ylpropanoate (PubChem CID 21278953) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclohexyl 2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namecyclohexyl 2-pyridin-2-ylpropanoate
PubChem CID21278953
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclohexyl 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccccn1
InChIInChI=1S/C14H19NO2/c1-11(13-9-5-6-10-15-13)14(16)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyRTGKSBPSGAPJSF-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
CID 66448564
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-pyridin-2-ylpropanoate?
The IUPAC name of cyclohexyl 2-pyridin-2-ylpropanoate (CID 21278953) is cyclohexyl 2-pyridin-2-ylpropanoate.
What is the SMILES notation for cyclohexyl 2-pyridin-2-ylpropanoate?
The canonical SMILES for cyclohexyl 2-pyridin-2-ylpropanoate is CC(C(=O)OC1CCCCC1)c1ccccn1.
What is the InChIKey of cyclohexyl 2-pyridin-2-ylpropanoate?
The InChIKey is RTGKSBPSGAPJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(13-9-5-6-10-15-13)14(16)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 2-pyridin-2-ylpropanoate?
cyclohexyl 2-pyridin-2-ylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-pyridin-2-ylpropanoate is sourced from PubChem (CID 21278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).