1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H22N2O — CID 113391037

IUPAC1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(CNC1CC1)Cn1c2c(ccc1=O)CCC2
InChIInChI=1S/C15H22N2O/c1-11(9-16-13-6-7-13)10-17-14-4-2-3-12(14)5-8-15(17)18/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3
InChIKeyRUJBPEFGPIWHKL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 113391037) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID113391037
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(CNC1CC1)Cn1c2c(ccc1=O)CCC2
InChIInChI=1S/C15H22N2O/c1-11(9-16-13-6-7-13)10-17-14-4-2-3-12(14)5-8-15(17)18/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3
InChIKeyRUJBPEFGPIWHKL-UHFFFAOYSA-N
XLogP1.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
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-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391010
1-[2-(3-methylbutylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391056
1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390999
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104753376
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169241
N-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97053083
1-[4-(propylamino)hexyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 106800562
3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523218

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 113391037) is 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(CNC1CC1)Cn1c2c(ccc1=O)CCC2.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is RUJBPEFGPIWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(9-16-13-6-7-13)10-17-14-4-2-3-12(14)5-8-15(17)18/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 113391037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).