2-(6-amino-2-pyridinyl)cyclohexan-1-one

C11H14N2O — CID 130040590

IUPAC2-(6-amino-2-pyridinyl)cyclohexan-1-one
SMILESNc1cccc(C2CCCCC2=O)n1
InChIInChI=1S/C11H14N2O/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2,(H2,12,13)
InChIKeyUKXFOJGOTTXQHW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.89
Rot. Bonds1

About 2-(6-amino-2-pyridinyl)cyclohexan-1-one

2-(6-amino-2-pyridinyl)cyclohexan-1-one (PubChem CID 130040590) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)cyclohexan-1-one
PubChem CID130040590
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(6-amino-2-pyridinyl)cyclohexan-1-one
SMILESNc1cccc(C2CCCCC2=O)n1
InChIInChI=1S/C11H14N2O/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2,(H2,12,13)
InChIKeyUKXFOJGOTTXQHW-UHFFFAOYSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-pyridinyl)cyclohexan-1-one?
The IUPAC name of 2-(6-amino-2-pyridinyl)cyclohexan-1-one (CID 130040590) is 2-(6-amino-2-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 2-(6-amino-2-pyridinyl)cyclohexan-1-one is Nc1cccc(C2CCCCC2=O)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)cyclohexan-1-one?
The InChIKey is UKXFOJGOTTXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2,(H2,12,13).
What are the key properties of 2-(6-amino-2-pyridinyl)cyclohexan-1-one?
2-(6-amino-2-pyridinyl)cyclohexan-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 130040590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).