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

C14H22N2O2 — CID 82522744

IUPAC3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(C(C)N)c1=O)CCC2
InChIInChI=1S/C14H22N2O2/c1-10(15)12-9-11-5-3-6-13(11)16(14(12)17)7-4-8-18-2/h9-10H,3-8,15H2,1-2H3
InChIKeyYZKDUOOJDCBHIU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds5

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

3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522744) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522744
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(C(C)N)c1=O)CCC2
InChIInChI=1S/C14H22N2O2/c1-10(15)12-9-11-5-3-6-13(11)16(14(12)17)7-4-8-18-2/h9-10H,3-8,15H2,1-2H3
InChIKeyYZKDUOOJDCBHIU-UHFFFAOYSA-N
XLogP1.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.39
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-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522757
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82522799
3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521829
3-[amino-(2,4-dimethylphenyl)methyl]-1-propyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523153
3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522528
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 67520066
methyl (2R)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 69474412

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522744) is 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is COCCCn1c2c(cc(C(C)N)c1=O)CCC2.
What is the InChIKey of 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is YZKDUOOJDCBHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)12-9-11-5-3-6-13(11)16(14(12)17)7-4-8-18-2/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).