2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine

C9H11N — CID 58213716

IUPAC2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
SMILESCC1=NC2=CCC=C2CC1
InChIInChI=1S/C9H11N/c1-7-5-6-8-3-2-4-9(8)10-7/h3-4H,2,5-6H2,1H3
InChIKeyPYTRDQARXJTXCH-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.46
Rot. Bonds

About 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine

2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine (PubChem CID 58213716) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
PubChem CID58213716
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
SMILESCC1=NC2=CCC=C2CC1
InChIInChI=1S/C9H11N/c1-7-5-6-8-3-2-4-9(8)10-7/h3-4H,2,5-6H2,1H3
InChIKeyPYTRDQARXJTXCH-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine?
The IUPAC name of 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine (CID 58213716) is 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine?
The canonical SMILES for 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine is CC1=NC2=CCC=C2CC1.
What is the InChIKey of 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine?
The InChIKey is PYTRDQARXJTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-5-6-8-3-2-4-9(8)10-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine?
2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine has a molecular weight of 133.19 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine is sourced from PubChem (CID 58213716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).