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

C10H12N2O2 — CID 70265215

IUPAC(4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c(N)ccnc21
InChIInChI=1S/C10H12N2O2/c1-6(13)14-9-3-2-7-8(11)4-5-12-10(7)9/h4-5,9H,2-3H2,1H3,(H2,11,12)
InChIKeyKEOHGBUWORAVDJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.21
Rot. Bonds1

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

(4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (PubChem CID 70265215) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.

Molecular Properties

Compound Name(4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
PubChem CID70265215
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c(N)ccnc21
InChIInChI=1S/C10H12N2O2/c1-6(13)14-9-3-2-7-8(11)4-5-12-10(7)9/h4-5,9H,2-3H2,1H3,(H2,11,12)
InChIKeyKEOHGBUWORAVDJ-UHFFFAOYSA-N
XLogP1.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The IUPAC name of (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (CID 70265215) is (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.
What is the SMILES notation for (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The canonical SMILES for (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is CC(=O)OC1CCc2c(N)ccnc21.
What is the InChIKey of (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The InChIKey is KEOHGBUWORAVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(13)14-9-3-2-7-8(11)4-5-12-10(7)9/h4-5,9H,2-3H2,1H3,(H2,11,12).
What are the key properties of (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
(4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate has a molecular weight of 192.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is sourced from PubChem (CID 70265215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).