1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone

C12H20N2O — CID 102679460

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1CCCC2CNCC21
InChIInChI=1S/C12H20N2O/c15-12(6-9-3-4-9)14-5-1-2-10-7-13-8-11(10)14/h9-11,13H,1-8H2
InChIKeyUFDFXAHIDDDSDF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds2

About 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone

1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone (PubChem CID 102679460) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone
PubChem CID102679460
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1CCCC2CNCC21
InChIInChI=1S/C12H20N2O/c15-12(6-9-3-4-9)14-5-1-2-10-7-13-8-11(10)14/h9-11,13H,1-8H2
InChIKeyUFDFXAHIDDDSDF-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone (CID 102679460) is 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone is O=C(CC1CC1)N1CCCC2CNCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone?
The InChIKey is UFDFXAHIDDDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(6-9-3-4-9)14-5-1-2-10-7-13-8-11(10)14/h9-11,13H,1-8H2.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone?
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone has a molecular weight of 208.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropylethanone is sourced from PubChem (CID 102679460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).