(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

C12H16N2O2 — CID 67128960

IUPAC(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCCc1c(N)cnc2c1CCC2OC(C)=O
InChIInChI=1S/C12H16N2O2/c1-3-8-9-4-5-11(16-7(2)15)12(9)14-6-10(8)13/h6,11H,3-5,13H2,1-2H3
InChIKeySYJYPFCDNXZILJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.78
Rot. Bonds2

About (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (PubChem CID 67128960) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.

Molecular Properties

Compound Name(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
PubChem CID67128960
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCCc1c(N)cnc2c1CCC2OC(C)=O
InChIInChI=1S/C12H16N2O2/c1-3-8-9-4-5-11(16-7(2)15)12(9)14-6-10(8)13/h6,11H,3-5,13H2,1-2H3
InChIKeySYJYPFCDNXZILJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The IUPAC name of (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (CID 67128960) is (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.
What is the SMILES notation for (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The canonical SMILES for (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is CCc1c(N)cnc2c1CCC2OC(C)=O.
What is the InChIKey of (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The InChIKey is SYJYPFCDNXZILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-8-9-4-5-11(16-7(2)15)12(9)14-6-10(8)13/h6,11H,3-5,13H2,1-2H3.
What are the key properties of (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
(3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate has a molecular weight of 220.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is sourced from PubChem (CID 67128960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).