2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium

C8H13N2+ — CID 123319751

IUPAC2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
SMILESC[N+]1=CC2=C(CNCC2)C1
InChIInChI=1S/C8H13N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5,9H,2-4,6H2,1H3/q+1
InChIKeyDRZXIFOSKWZRIF-UHFFFAOYSA-N
MW137.21 g/mol
LogP0.00
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium

2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium (PubChem CID 123319751) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
PubChem CID123319751
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
SMILESC[N+]1=CC2=C(CNCC2)C1
InChIInChI=1S/C8H13N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5,9H,2-4,6H2,1H3/q+1
InChIKeyDRZXIFOSKWZRIF-UHFFFAOYSA-N
XLogP0.00
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7,7-Dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
CID 58117541
5-methanidyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridin-5-ium
CID 58124011
5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 59559172
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403
ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142384168
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557
1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384558
N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide
CID 144729427
4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 158411994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium (CID 123319751) is 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium is C[N+]1=CC2=C(CNCC2)C1.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium?
The InChIKey is DRZXIFOSKWZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5,9H,2-4,6H2,1H3/q+1.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium?
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium has a molecular weight of 137.21 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium is sourced from PubChem (CID 123319751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).