ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate

C12H13NO2 — CID 146584592

IUPACethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCc2ncccc21
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)8-9-5-6-11-10(9)4-3-7-13-11/h3-4,7-8H,2,5-6H2,1H3/b9-8+
InChIKeyKFRCFXQHBWJIMN-CMDGGOBGSA-N
MW203.24 g/mol
LogP1.97
Rot. Bonds2

About ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate

ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate (PubChem CID 146584592) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate
PubChem CID146584592
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCc2ncccc21
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)8-9-5-6-11-10(9)4-3-7-13-11/h3-4,7-8H,2,5-6H2,1H3/b9-8+
InChIKeyKFRCFXQHBWJIMN-CMDGGOBGSA-N
XLogP1.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethyl (2E)-2-(4-bromo-2,3-dihydroinden-1-ylidene)acetate
CID 125464204
ethyl 2-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)acetate
CID 172740654
6,7-dihydrocyclopenta[b]pyridin-5-one;2-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetic acid;ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetate;ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate;methyl 2-diethoxyphosphorylacetate
CID 158828810
ethyl 2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetate
CID 66997837
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-(2H-acenaphthylen-1-ylidene)acetate
CID 70179131
ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
CID 69074858
ethyl (2Z)-2-(3-oxoisoindol-1-ylidene)acetate
CID 139094769
6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one
CID 54008411

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate (CID 146584592) is ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate is CCOC(=O)/C=C1\CCc2ncccc21.
What is the InChIKey of ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate?
The InChIKey is KFRCFXQHBWJIMN-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-12(14)8-9-5-6-11-10(9)4-3-7-13-11/h3-4,7-8H,2,5-6H2,1H3/b9-8+.
What are the key properties of ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate?
ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate has a molecular weight of 203.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate is sourced from PubChem (CID 146584592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).