2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium

C10H14N+ — CID 123478653

IUPAC2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
SMILESCC1Cc2cc[n+](C)cc2C1
InChIInChI=1S/C10H14N/c1-8-5-9-3-4-11(2)7-10(9)6-8/h3-4,7-8H,5-6H2,1-2H3/q+1
InChIKeyMPXIDFWVJSTGTP-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.25
Rot. Bonds

About 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium

2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium (PubChem CID 123478653) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium.

Molecular Properties

Compound Name2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
PubChem CID123478653
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
SMILESCC1Cc2cc[n+](C)cc2C1
InChIInChI=1S/C10H14N/c1-8-5-9-3-4-11(2)7-10(9)6-8/h3-4,7-8H,5-6H2,1-2H3/q+1
InChIKeyMPXIDFWVJSTGTP-UHFFFAOYSA-N
XLogP1.25
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.25
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 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The IUPAC name of 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium (CID 123478653) is 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium.
What is the SMILES notation for 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The canonical SMILES for 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium is CC1Cc2cc[n+](C)cc2C1.
What is the InChIKey of 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The InChIKey is MPXIDFWVJSTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-8-5-9-3-4-11(2)7-10(9)6-8/h3-4,7-8H,5-6H2,1-2H3/q+1.
What are the key properties of 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium has a molecular weight of 148.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium is sourced from PubChem (CID 123478653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).