dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

C12H15NO4 — CID 600075

IUPACdimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC(=C(C)N)C(C(=O)OC)=C1C
InChIInChI=1S/C12H15NO4/c1-6-8(11(14)16-3)5-9(7(2)13)10(6)12(15)17-4/h5H,13H2,1-4H3
InChIKeyFGJWJIGRYXVFMM-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.82
Rot. Bonds2

About dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (PubChem CID 600075) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
PubChem CID600075
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namedimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC(=C(C)N)C(C(=O)OC)=C1C
InChIInChI=1S/C12H15NO4/c1-6-8(11(14)16-3)5-9(7(2)13)10(6)12(15)17-4/h5H,13H2,1-4H3
InChIKeyFGJWJIGRYXVFMM-UHFFFAOYSA-N
XLogP0.82
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3Z)-4-acetyl-3-(1-hydroxyethylidene)-5-methylcyclopenta-1,4-diene-1-carboxylate
CID 54679639
methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
CID 121219205
dimethyl 3-methylcyclohexa-2,6-diene-1,2-dicarboxylate
CID 12842808
methyl 4-methyl-3,6-dioxocyclohexa-1,4-diene-1-carboxylate
CID 12754796
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
(1E)-1-(2-methoxycarbonylcyclopenta-2,4-dien-1-ylidene)ethanolate
CID 54708782
tetramethyl 5,6-bis[(2,6-dimethylphenyl)imino]cyclohexa-1,3-diene-1,2,3,4-tetracarboxylate
CID 122218204
methyl 3-amino-2-hydroxy-6-imino-5-oxocyclohexa-1,3-diene-1-carboxylate
CID 137181050
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
methyl 2,6-diamino-4-methylbenzoate
CID 57005581

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (CID 600075) is dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is COC(=O)C1=CC(=C(C)N)C(C(=O)OC)=C1C.
What is the InChIKey of dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The InChIKey is FGJWJIGRYXVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-6-8(11(14)16-3)5-9(7(2)13)10(6)12(15)17-4/h5H,13H2,1-4H3.
What are the key properties of dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate has a molecular weight of 237.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is sourced from PubChem (CID 600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).