ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate

C11H15NO2 — CID 173206927

IUPACethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate
SMILESCCOC(=O)C1=CC(=CN(C)C)C=C1
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)10-6-5-9(7-10)8-12(2)3/h5-8H,4H2,1-3H3
InChIKeyQNMHGNYWBVVPLU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds3

About ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate

ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate (PubChem CID 173206927) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate
PubChem CID173206927
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate
SMILESCCOC(=O)C1=CC(=CN(C)C)C=C1
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)10-6-5-9(7-10)8-12(2)3/h5-8H,4H2,1-3H3
InChIKeyQNMHGNYWBVVPLU-UHFFFAOYSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2H-pyran-5-carboxylate
CID 56632692
ethyl 3aH-indene-2-carboxylate
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CID 69326532
ethyl 4-iminocyclohexa-1,5-diene-1-carboxylate
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ethyl 5-(4-ethylphenyl)cyclohepta-1,4,6-triene-1-carboxylate
CID 143394539
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 4-chloro-3,3-dimethylcyclopenta-1,4-diene-1-carboxylate
CID 102358042
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxocyclopentane-1-carboxylate
CID 167468027
ethyl 5-hydroxy-8-methyl-1-benzoxepine-3-carboxylate
CID 86057644
ethyl (7E)-7-(dimethylaminomethylidene)-8-oxo-5,6-dihydroindolizine-3-carboxylate
CID 171855014
ethyl 4-(diethoxyamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate?
The IUPAC name of ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate (CID 173206927) is ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate?
The canonical SMILES for ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate is CCOC(=O)C1=CC(=CN(C)C)C=C1.
What is the InChIKey of ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate?
The InChIKey is QNMHGNYWBVVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-11(13)10-6-5-9(7-10)8-12(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate?
ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate is sourced from PubChem (CID 173206927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).