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

C13H18N2O — CID 116554606

IUPAC2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCc2cccnc21
InChIInChI=1S/C13H18N2O/c1-2-4-11(14)13(16)10-7-6-9-5-3-8-15-12(9)10/h3,5,8,10-11H,2,4,6-7,14H2,1H3
InChIKeyZPXJXORUNYQASK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.81
Rot. Bonds4

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

2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one (PubChem CID 116554606) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
PubChem CID116554606
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCc2cccnc21
InChIInChI=1S/C13H18N2O/c1-2-4-11(14)13(16)10-7-6-9-5-3-8-15-12(9)10/h3,5,8,10-11H,2,4,6-7,14H2,1H3
InChIKeyZPXJXORUNYQASK-UHFFFAOYSA-N
XLogP1.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
CID 116601540
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420
6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
CID 116574249
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one (CID 116554606) is 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one is CCCC(N)C(=O)C1CCc2cccnc21.
What is the InChIKey of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one?
The InChIKey is ZPXJXORUNYQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-4-11(14)13(16)10-7-6-9-5-3-8-15-12(9)10/h3,5,8,10-11H,2,4,6-7,14H2,1H3.
What are the key properties of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one?
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one is sourced from PubChem (CID 116554606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).