[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate

C11H12N2O3 — CID 121351008

IUPAC[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate
SMILESCO/N=C1/c2ncccc2CC1OC(C)=O
InChIInChI=1S/C11H12N2O3/c1-7(14)16-9-6-8-4-3-5-12-10(8)11(9)13-15-2/h3-5,9H,6H2,1-2H3/b13-11+
InChIKeyZGNOPFKOKWURAW-ACCUITESSA-N
MW220.23 g/mol
LogP0.92
Rot. Bonds2

About [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate

[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate (PubChem CID 121351008) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate.

Molecular Properties

Compound Name[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate
PubChem CID121351008
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate
SMILESCO/N=C1/c2ncccc2CC1OC(C)=O
InChIInChI=1S/C11H12N2O3/c1-7(14)16-9-6-8-4-3-5-12-10(8)11(9)13-15-2/h3-5,9H,6H2,1-2H3/b13-11+
InChIKeyZGNOPFKOKWURAW-ACCUITESSA-N
XLogP0.92
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate?
The IUPAC name of [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate (CID 121351008) is [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate.
What is the SMILES notation for [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate?
The canonical SMILES for [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate is CO/N=C1/c2ncccc2CC1OC(C)=O.
What is the InChIKey of [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate?
The InChIKey is ZGNOPFKOKWURAW-ACCUITESSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)16-9-6-8-4-3-5-12-10(8)11(9)13-15-2/h3-5,9H,6H2,1-2H3/b13-11+.
What are the key properties of [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate?
[(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate has a molecular weight of 220.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7Z)-7-methoxyimino-5,6-dihydrocyclopenta[b]pyridin-6-yl] acetate is sourced from PubChem (CID 121351008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).