1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one

C11H18N2O — CID 11600845

IUPAC1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one
SMILESN[C@@H]1CCCC[C@H]1N1CCC=CC1=O
InChIInChI=1S/C11H18N2O/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(13)14/h3,7,9-10H,1-2,4-6,8,12H2/t9-,10-/m1/s1
InChIKeyZYYACVULIFUXQS-NXEZZACHSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds1

About 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one

1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one (PubChem CID 11600845) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one
PubChem CID11600845
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one
SMILESN[C@@H]1CCCC[C@H]1N1CCC=CC1=O
InChIInChI=1S/C11H18N2O/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(13)14/h3,7,9-10H,1-2,4-6,8,12H2/t9-,10-/m1/s1
InChIKeyZYYACVULIFUXQS-NXEZZACHSA-N
XLogP1.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one (CID 11600845) is 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one is N[C@@H]1CCCC[C@H]1N1CCC=CC1=O.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one?
The InChIKey is ZYYACVULIFUXQS-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18N2O/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(13)14/h3,7,9-10H,1-2,4-6,8,12H2/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one?
1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one has a molecular weight of 194.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-aminocyclohexyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 11600845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).