5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C8H11N2- — CID 58124012

IUPAC5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILES[CH2-]N1CCC2=C(CC=N2)C1
InChIInChI=1S/C8H11N2/c1-10-5-3-8-7(6-10)2-4-9-8/h4H,1-3,5-6H2/q-1
InChIKeyROZZJKHWJAMBFV-UHFFFAOYSA-N
MW135.19 g/mol
LogP1.21
Rot. Bonds

About 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 58124012) has the molecular formula C8H11N2- and a molecular weight of 135.19 g/mol. Its IUPAC name is 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID58124012
Molecular FormulaC8H11N2-
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILES[CH2-]N1CCC2=C(CC=N2)C1
InChIInChI=1S/C8H11N2/c1-10-5-3-8-7(6-10)2-4-9-8/h4H,1-3,5-6H2/q-1
InChIKeyROZZJKHWJAMBFV-UHFFFAOYSA-N
XLogP1.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methanidyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridin-5-ium
CID 58124011
6-Methyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 58223119
5-Methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58223136
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 59559172
7-Methyl-5,6,8,9-tetrahydropyrido[4,3-d][1,3]diazepine
CID 126687654
6-Methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine
CID 147626798
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 157079316
butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
CID 170634492
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine
CID 145116847
2,5-Dimethyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 153199421

Frequently Asked Questions

What is the IUPAC name of 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 58124012) is 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is [CH2-]N1CCC2=C(CC=N2)C1.
What is the InChIKey of 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is ROZZJKHWJAMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2/c1-10-5-3-8-7(6-10)2-4-9-8/h4H,1-3,5-6H2/q-1.
What are the key properties of 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 135.19 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 58124012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).