[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone

C11H12N2O2 — CID 98470590

IUPAC[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H]2O[C@@H]2C1
InChIInChI=1S/C11H12N2O2/c14-11(8-2-1-4-12-6-8)13-5-3-9-10(7-13)15-9/h1-2,4,6,9-10H,3,5,7H2/t9-,10-/m1/s1
InChIKeyFPEGFCYDJFMQFY-NXEZZACHSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds1

About [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone

[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone (PubChem CID 98470590) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
PubChem CID98470590
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H]2O[C@@H]2C1
InChIInChI=1S/C11H12N2O2/c14-11(8-2-1-4-12-6-8)13-5-3-9-10(7-13)15-9/h1-2,4,6,9-10H,3,5,7H2/t9-,10-/m1/s1
InChIKeyFPEGFCYDJFMQFY-NXEZZACHSA-N
XLogP0.69
TPSA45.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(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
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
(5-ethoxy-3-pyridinyl)-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124748673
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone (CID 98470590) is [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC[C@H]2O[C@@H]2C1.
What is the InChIKey of [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone?
The InChIKey is FPEGFCYDJFMQFY-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(8-2-1-4-12-6-8)13-5-3-9-10(7-13)15-9/h1-2,4,6,9-10H,3,5,7H2/t9-,10-/m1/s1.
What are the key properties of [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone?
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone has a molecular weight of 204.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 98470590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).