1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium

C9H12N+ — CID 13452635

IUPAC1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
SMILESC[n+]1cccc2c1CCC2
InChIInChI=1S/C9H12N/c1-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3/q+1
InChIKeyDRMXUUVVMOAAHO-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.00
Rot. Bonds

About 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium

1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium (PubChem CID 13452635) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
PubChem CID13452635
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
SMILESC[n+]1cccc2c1CCC2
InChIInChI=1S/C9H12N/c1-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3/q+1
InChIKeyDRMXUUVVMOAAHO-UHFFFAOYSA-N
XLogP1.00
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium?
The IUPAC name of 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium (CID 13452635) is 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium.
What is the SMILES notation for 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium?
The canonical SMILES for 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium is C[n+]1cccc2c1CCC2.
What is the InChIKey of 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium?
The InChIKey is DRMXUUVVMOAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N/c1-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3/q+1.
What are the key properties of 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium?
1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium has a molecular weight of 134.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium is sourced from PubChem (CID 13452635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).