1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone

C12H14N2O — CID 112534802

IUPAC1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC2CC2C1
InChIInChI=1S/C12H14N2O/c15-12(6-11-3-1-2-4-13-11)14-7-9-5-10(9)8-14/h1-4,9-10H,5-8H2
InChIKeyWNSGGDYAYUDXLM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone

1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone (PubChem CID 112534802) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
PubChem CID112534802
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC2CC2C1
InChIInChI=1S/C12H14N2O/c15-12(6-11-3-1-2-4-13-11)14-7-9-5-10(9)8-14/h1-4,9-10H,5-8H2
InChIKeyWNSGGDYAYUDXLM-UHFFFAOYSA-N
XLogP1.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[(3aS,5R,6R,7aR)-5-(benzimidazol-1-yl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-pyridin-2-ylethanone
CID 172663529
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 45188532
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone (CID 112534802) is 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CC2CC2C1.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is WNSGGDYAYUDXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12(6-11-3-1-2-4-13-11)14-7-9-5-10(9)8-14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone?
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 202.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 112534802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).