2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine

C10H13N — CID 91472797

IUPAC2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine
SMILESCC1=CC2=C(CCC(C)=N2)C1
InChIInChI=1S/C10H13N/c1-7-5-9-4-3-8(2)11-10(9)6-7/h6H,3-5H2,1-2H3
InChIKeyCAFHBVZXAKLGDB-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds

About 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine

2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine (PubChem CID 91472797) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine
PubChem CID91472797
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine
SMILESCC1=CC2=C(CCC(C)=N2)C1
InChIInChI=1S/C10H13N/c1-7-5-9-4-3-8(2)11-10(9)6-7/h6H,3-5H2,1-2H3
InChIKeyCAFHBVZXAKLGDB-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20324605
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N-methyl-1,5,6,7-tetrahydroinden-4-imine
CID 58862020
2,3-Dimethyl-4,5-dihydrocyclopenta[b]pyridin-4-ide;yttrium
CID 59059997
2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium
CID 59758696
2-methyl-4,5-dihydro-3H-indole
CID 59759818
2-Hexylideneindole
CID 87404983
3,4-Diethyl-2-methylideneindole
CID 87814049
2-methyl-6-methylidene-4,5-dihydro-3H-cyclopenta[b]pyrrole
CID 89409491
2,5-Dimethyl-3,4-dihydrocyclopenta[b]pyrrole
CID 89607097
2,7-Dimethyl-1,4,5,8-tetrahydropyrrolo[3,2-e]indole
CID 89607107
2-[(3E)-hepta-1,3-dien-4-yl]-5-methylidenepyrrole
CID 90261573

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine?
The IUPAC name of 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine (CID 91472797) is 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine.
What is the SMILES notation for 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine?
The canonical SMILES for 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine is CC1=CC2=C(CCC(C)=N2)C1.
What is the InChIKey of 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine?
The InChIKey is CAFHBVZXAKLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-5-9-4-3-8(2)11-10(9)6-7/h6H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine?
2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine is sourced from PubChem (CID 91472797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).