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

C8H15N2- — CID 171466717

IUPAC5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILES[CH2-]N1CCC2NCCC2C1
InChIInChI=1S/C8H15N2/c1-10-5-3-8-7(6-10)2-4-9-8/h7-9H,1-6H2/q-1
InChIKeyHNTJJRSAFDKCKZ-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.46
Rot. Bonds

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

5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 171466717) has the molecular formula C8H15N2- and a molecular weight of 139.22 g/mol. Its IUPAC name is 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID171466717
Molecular FormulaC8H15N2-
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILES[CH2-]N1CCC2NCCC2C1
InChIInChI=1S/C8H15N2/c1-10-5-3-8-7(6-10)2-4-9-8/h7-9H,1-6H2/q-1
InChIKeyHNTJJRSAFDKCKZ-UHFFFAOYSA-N
XLogP0.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 171466717) is 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is [CH2-]N1CCC2NCCC2C1.
What is the InChIKey of 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is HNTJJRSAFDKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-10-5-3-8-7(6-10)2-4-9-8/h7-9H,1-6H2/q-1.
What are the key properties of 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 171466717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).