(2-methylcyclohexyl) 2-pyridin-2-ylacetate

C14H19NO2 — CID 15055566

IUPAC(2-methylcyclohexyl) 2-pyridin-2-ylacetate
SMILESCC1CCCCC1OC(=O)Cc1ccccn1
InChIInChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)17-14(16)10-12-7-4-5-9-15-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3
InChIKeyTZKFDTGERCIPMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.75
Rot. Bonds3

About (2-methylcyclohexyl) 2-pyridin-2-ylacetate

(2-methylcyclohexyl) 2-pyridin-2-ylacetate (PubChem CID 15055566) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-pyridin-2-ylacetate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-pyridin-2-ylacetate
PubChem CID15055566
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-methylcyclohexyl) 2-pyridin-2-ylacetate
SMILESCC1CCCCC1OC(=O)Cc1ccccn1
InChIInChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)17-14(16)10-12-7-4-5-9-15-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3
InChIKeyTZKFDTGERCIPMP-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
(2-methylcyclohexyl) 2-(4-aminophenyl)acetate
CID 61277634
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-pyridin-2-ylacetate
CID 68718467
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
(2-methylcyclohexyl) propanoate
CID 546179
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone
CID 107179819
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-pyridin-2-ylacetate?
The IUPAC name of (2-methylcyclohexyl) 2-pyridin-2-ylacetate (CID 15055566) is (2-methylcyclohexyl) 2-pyridin-2-ylacetate.
What is the SMILES notation for (2-methylcyclohexyl) 2-pyridin-2-ylacetate?
The canonical SMILES for (2-methylcyclohexyl) 2-pyridin-2-ylacetate is CC1CCCCC1OC(=O)Cc1ccccn1.
What is the InChIKey of (2-methylcyclohexyl) 2-pyridin-2-ylacetate?
The InChIKey is TZKFDTGERCIPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)17-14(16)10-12-7-4-5-9-15-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3.
What are the key properties of (2-methylcyclohexyl) 2-pyridin-2-ylacetate?
(2-methylcyclohexyl) 2-pyridin-2-ylacetate has a molecular weight of 233.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-pyridin-2-ylacetate is sourced from PubChem (CID 15055566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).