1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone

C15H21NO — CID 107179819

IUPAC1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone
SMILESCC1(C)CCCCC1C(=O)Cc1ccccn1
InChIInChI=1S/C15H21NO/c1-15(2)9-5-3-8-13(15)14(17)11-12-7-4-6-10-16-12/h4,6-7,10,13H,3,5,8-9,11H2,1-2H3
InChIKeyZRTWCXFKOVQJRG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone

1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone (PubChem CID 107179819) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone
PubChem CID107179819
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone
SMILESCC1(C)CCCCC1C(=O)Cc1ccccn1
InChIInChI=1S/C15H21NO/c1-15(2)9-5-3-8-13(15)14(17)11-12-7-4-6-10-16-12/h4,6-7,10,13H,3,5,8-9,11H2,1-2H3
InChIKeyZRTWCXFKOVQJRG-UHFFFAOYSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone (CID 107179819) is 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone is CC1(C)CCCCC1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone?
The InChIKey is ZRTWCXFKOVQJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)9-5-3-8-13(15)14(17)11-12-7-4-6-10-16-12/h4,6-7,10,13H,3,5,8-9,11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone?
1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone has a molecular weight of 231.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 107179819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).