2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C8H16N2 — CID 18712668

IUPAC2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCN1CC2CCNCC2C1
InChIInChI=1S/C8H16N2/c1-10-5-7-2-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3
InChIKeyBKVNPJOJIGXEPB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.16
Rot. Bonds

About 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine

2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 18712668) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID18712668
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCN1CC2CCNCC2C1
InChIInChI=1S/C8H16N2/c1-10-5-7-2-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3
InChIKeyBKVNPJOJIGXEPB-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine 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

1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
3-(Pyrrolidin-1-ylmethyl)piperidine
CID 4341894
(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
CID 46176554
cis-1-Methyloctahydropyrrolo[3,4-b]pyridine
CID 59676679
4-[3-(Pyrrolidin-1-yl)propyl]piperidine
CID 62211827
1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine
CID 68080074
rac-(3aR,7aS)-5-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
CID 68324704
rac-(3aR,7aS)-1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine hydrochloride
CID 92844998
1-(3-Methylbutyl)-4-pyrrolidin-3-ylpiperidine
CID 110876288
rac-(3aR,7aS)-5-methyl-octahydro-1H-pyrrolo(3,4-c)pyridine dihydrochloride
CID 122163497
5-(2,2-difluoroethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine
CID 130578184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 18712668) is 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CN1CC2CCNCC2C1.
What is the InChIKey of 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is BKVNPJOJIGXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-5-7-2-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 140.23 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 18712668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).