1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone

C12H15N3O — CID 68580786

IUPAC1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1NCC2CNCC21
InChIInChI=1S/C12H15N3O/c16-12(8-2-1-3-13-4-8)11-10-7-14-5-9(10)6-15-11/h1-4,9-11,14-15H,5-7H2
InChIKeyUWFXCEHXXVFYJU-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.07
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone

1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone (PubChem CID 68580786) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone
PubChem CID68580786
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1NCC2CNCC21
InChIInChI=1S/C12H15N3O/c16-12(8-2-1-3-13-4-8)11-10-7-14-5-9(10)6-15-11/h1-4,9-11,14-15H,5-7H2
InChIKeyUWFXCEHXXVFYJU-UHFFFAOYSA-N
XLogP0.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549767
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
3-(pyridine-3-carbonyl)bicyclo[3.2.1]octane-2,4-dione
CID 58332847
(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 115385690
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891385
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
benzene;pyridine-3-carboxamide
CID 66766032

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone (CID 68580786) is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)C1NCC2CNCC21.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone?
The InChIKey is UWFXCEHXXVFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(8-2-1-3-13-4-8)11-10-7-14-5-9(10)6-15-11/h1-4,9-11,14-15H,5-7H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone?
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 68580786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).