3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone

C11H12N2O — CID 110476999

IUPAC3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CC2C1
InChIInChI=1S/C11H12N2O/c14-11(8-2-1-3-12-5-8)13-6-9-4-10(9)7-13/h1-3,5,9-10H,4,6-7H2
InChIKeyUQVWEIPRUHIBHZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.17
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone

3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone (PubChem CID 110476999) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
PubChem CID110476999
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CC2C1
InChIInChI=1S/C11H12N2O/c14-11(8-2-1-3-12-5-8)13-6-9-4-10(9)7-13/h1-3,5,9-10H,4,6-7H2
InChIKeyUQVWEIPRUHIBHZ-UHFFFAOYSA-N
XLogP1.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(2S,3aS,6aS)-N,1-dimethyl-5-(pyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97377308
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone (CID 110476999) is 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone?
The InChIKey is UQVWEIPRUHIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11(8-2-1-3-12-5-8)13-6-9-4-10(9)7-13/h1-3,5,9-10H,4,6-7H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone?
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone has a molecular weight of 188.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 110476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).