dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate

C13H17NO4 — CID 5375109

IUPACdimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCN/C(C)=C1\C=C(C(=O)OC)C(C)=C1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-7-9(12(15)17-4)6-10(8(2)14-3)11(7)13(16)18-5/h6,14H,1-5H3/b10-8+
InChIKeyACNFRMMDWCJNMI-CSKARUKUSA-N
MW251.28 g/mol
LogP1.08
Rot. Bonds3

About dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate

dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate (PubChem CID 5375109) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate
PubChem CID5375109
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namedimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCN/C(C)=C1\C=C(C(=O)OC)C(C)=C1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-7-9(12(15)17-4)6-10(8(2)14-3)11(7)13(16)18-5/h6,14H,1-5H3/b10-8+
InChIKeyACNFRMMDWCJNMI-CSKARUKUSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Cyclopentadiene-1,3-dicarboxylic acid, 5-[1-(dimethylamino)ethylidene]-2-methyl-, dimethyl ester
CID 5363348
1,3-Cyclopentadiene-1,3-dicarboxylic acid, 5-(1-aminoethylidene)-2-methyl-, dimethyl ester
CID 5374413
4-(1-Methylamino-ethylidene)-pent-2-enedioic acid dimethyl ester
CID 86714140
dimethyl (E,4E)-4-[1-(methylamino)ethylidene]pent-2-enedioate
CID 88925731
methyl (2E,3E)-4-(methylamino)-2-(2-methylprop-2-enylidene)-3-prop-1-en-2-ylhexa-3,5-dienoate
CID 144940142
methyl (2E,3Z)-2-ethylidene-4-(methylamino)hepta-3,6-dienoate
CID 145222318
Methyl 5-(methylamino)cyclohexa-1,5-diene-1-carboxylate
CID 155325601
methyl (Z,2E)-3-methyl-2-[1-(methylamino)ethylidene]hex-3-enoate
CID 164027681
CID 164033488
CID 164033488
methyl 2-methyl-4-(oxomethylidene)-1H-pyridine-3-carboxylate
CID 176546033
Dimethyl 5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
CID 537425
Dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
CID 600075

Frequently Asked Questions

What is the IUPAC name of dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate (CID 5375109) is dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate is CN/C(C)=C1\C=C(C(=O)OC)C(C)=C1C(=O)OC.
What is the InChIKey of dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate?
The InChIKey is ACNFRMMDWCJNMI-CSKARUKUSA-N. The full InChI is InChI=1S/C13H17NO4/c1-7-9(12(15)17-4)6-10(8(2)14-3)11(7)13(16)18-5/h6,14H,1-5H3/b10-8+.
What are the key properties of dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate?
dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5E)-2-methyl-5-[1-(methylamino)ethylidene]cyclopenta-1,3-diene-1,3-dicarboxylate is sourced from PubChem (CID 5375109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).