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

C13H20N2O2 — CID 113390999

IUPAC1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCOC(CN)Cn1c2c(ccc1=O)CCC2
InChIInChI=1S/C13H20N2O2/c1-2-17-11(8-14)9-15-12-5-3-4-10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeySWFRTMYAZYDNAW-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.70
Rot. Bonds5

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

1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 113390999) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID113390999
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCOC(CN)Cn1c2c(ccc1=O)CCC2
InChIInChI=1S/C13H20N2O2/c1-2-17-11(8-14)9-15-12-5-3-4-10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeySWFRTMYAZYDNAW-UHFFFAOYSA-N
XLogP0.70
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738741
N-(2-methoxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxamide
CID 51052402
(2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)(morpholin-4-yl)methanone
CID 51054984
2-hydroxy-N-[3-(morpholin-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 52898062
3-(2-Methylmorpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894377
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71894394
3-(3-Propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936605
3-(3-Ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71937240
5-Amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104141
5-(Ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104146
5-Amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104280
5-Amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104350

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 113390999) is 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCOC(CN)Cn1c2c(ccc1=O)CCC2.
What is the InChIKey of 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is SWFRTMYAZYDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-11(8-14)9-15-12-5-3-4-10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3.
What are the key properties of 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 113390999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).