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

C13H20N2O — CID 82523355

IUPAC1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCNCc1cc2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H20N2O/c1-3-7-14-9-11-8-10-5-4-6-12(10)15(2)13(11)16/h8,14H,3-7,9H2,1-2H3
InChIKeyHPECFNFTACHIBH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds4

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

1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523355) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523355
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCCNCc1cc2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H20N2O/c1-3-7-14-9-11-8-10-5-4-6-12(10)15(2)13(11)16/h8,14H,3-7,9H2,1-2H3
InChIKeyHPECFNFTACHIBH-UHFFFAOYSA-N
XLogP1.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523341
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522286
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
CID 82452222
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522145
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523355) is 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCCNCc1cc2c(n(C)c1=O)CCC2.
What is the InChIKey of 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is HPECFNFTACHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-14-9-11-8-10-5-4-6-12(10)15(2)13(11)16/h8,14H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).