1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H24N2O — CID 113391010

IUPAC1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCC(C)C(Cn1c2c(ccc1=O)CCC2)NC
InChIInChI=1S/C15H24N2O/c1-4-11(2)13(16-3)10-17-14-7-5-6-12(14)8-9-15(17)18/h8-9,11,13,16H,4-7,10H2,1-3H3
InChIKeySEMMNOSGUCOPJI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 113391010) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID113391010
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCC(C)C(Cn1c2c(ccc1=O)CCC2)NC
InChIInChI=1S/C15H24N2O/c1-4-11(2)13(16-3)10-17-14-7-5-6-12(14)8-9-15(17)18/h8-9,11,13,16H,4-7,10H2,1-3H3
InChIKeySEMMNOSGUCOPJI-UHFFFAOYSA-N
XLogP1.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748148
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391037
1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390999
1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748154
1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391056
1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169241
1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 106800562
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104753376
ethyl (E)-4-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)but-2-enoate
CID 113391006
1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 122623826
2-[3-methyl-2-(methylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513395
1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 103061630

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 113391010) is 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCC(C)C(Cn1c2c(ccc1=O)CCC2)NC.
What is the InChIKey of 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is SEMMNOSGUCOPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-11(2)13(16-3)10-17-14-7-5-6-12(14)8-9-15(17)18/h8-9,11,13,16H,4-7,10H2,1-3H3.
What are the key properties of 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 113391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).