3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H24N2O2 — CID 82522751

IUPAC3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(C(C)(C)N)c1=O)CCC2
InChIInChI=1S/C15H24N2O2/c1-15(2,16)12-10-11-6-4-7-13(11)17(14(12)18)8-5-9-19-3/h10H,4-9,16H2,1-3H3
InChIKeyMMQQGRFVIBVNLM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds5

About 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522751) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522751
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(C(C)(C)N)c1=O)CCC2
InChIInChI=1S/C15H24N2O2/c1-15(2,16)12-10-11-6-4-7-13(11)17(14(12)18)8-5-9-19-3/h10H,4-9,16H2,1-3H3
InChIKeyMMQQGRFVIBVNLM-UHFFFAOYSA-N
XLogP1.57
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522744
3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522757
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
CID 82524040
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521529
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82522799
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
1-(2-methoxyethyl)-3-(piperazine-1-carbonyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522794
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82522950
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522751) is 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is COCCCn1c2c(cc(C(C)(C)N)c1=O)CCC2.
What is the InChIKey of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is MMQQGRFVIBVNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,16)12-10-11-6-4-7-13(11)17(14(12)18)8-5-9-19-3/h10H,4-9,16H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).