ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate

C11H17NO3 — CID 167468027

IUPACethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)/C(=C\N(C)C)C1
InChIInChI=1S/C11H17NO3/c1-4-15-11(14)8-5-9(7-12(2)3)10(13)6-8/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyLVGFUELASPOFFP-CLFYSBASSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate

ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate (PubChem CID 167468027) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate
PubChem CID167468027
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)/C(=C\N(C)C)C1
InChIInChI=1S/C11H17NO3/c1-4-15-11(14)8-5-9(7-12(2)3)10(13)6-8/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyLVGFUELASPOFFP-CLFYSBASSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate 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

lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
CID 139342927
ethane;ethyl 4-(1-hydroxybutylidene)-3,5-dioxocyclohexane-1-carboxylate
CID 143769364
ethyl (3E)-3-ethylidene-4-oxocyclodecane-1-carboxylate
CID 5470128
[(3-ethoxycarbonylcyclobutylidene)amino]-methylcarbamic acid
CID 166694228
ethyl (6Z)-6-(dimethylaminomethylidene)-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-indazole-3-carboxylate
CID 140517911
ethyl 2-[[(1R,4E)-4-(dimethylaminomethylidene)-3-oxocyclohexyl]methyl]-3-(propylamino)propanoate
CID 144670557
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
ethyl 4-(2,2-dimethylpropanoyl)-3,5-dioxocyclohexane-1-carboxylate
CID 21276347
ethyl 2-[3-(dimethylaminomethylidene)-2-oxocyclohexyl]acetate
CID 77225072
ethyl 4-[(4-ethylphenyl)-hydroxymethylidene]-3,5-dioxocyclohexane-1-carboxylate
CID 15615704
ethyl 3,5-bis[(4-nitrophenyl)methylidene]-4-oxocyclohexane-1-carboxylate
CID 75946127
ethyl (3Z,5E)-4-oxo-3,5-bis(pyridin-3-ylmethylidene)cyclohexane-1-carboxylate
CID 52882982

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate (CID 167468027) is ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate is CCOC(=O)C1CC(=O)/C(=C\N(C)C)C1.
What is the InChIKey of ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate?
The InChIKey is LVGFUELASPOFFP-CLFYSBASSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-15-11(14)8-5-9(7-12(2)3)10(13)6-8/h7-8H,4-6H2,1-3H3/b9-7-.
What are the key properties of ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate?
ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 167468027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).