dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

C14H18N2O4 — CID 101363600

IUPACdimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cnc(N(C)C)cc2C1
InChIInChI=1S/C14H18N2O4/c1-16(2)11-5-9-6-14(12(17)19-3,13(18)20-4)7-10(9)8-15-11/h5,8H,6-7H2,1-4H3
InChIKeyGOBCLBIOMFPCPG-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.58
Rot. Bonds3

About dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (PubChem CID 101363600) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
PubChem CID101363600
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namedimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cnc(N(C)C)cc2C1
InChIInChI=1S/C14H18N2O4/c1-16(2)11-5-9-6-14(12(17)19-3,13(18)20-4)7-10(9)8-15-11/h5,8H,6-7H2,1-4H3
InChIKeyGOBCLBIOMFPCPG-UHFFFAOYSA-N
XLogP0.58
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 54763818
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
tetramethyl 4-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14)-pentaene-7,7,12,12-tetracarboxylate
CID 102483815
diethyl 3-(2-phenylethynyl)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 177485996
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
CID 162663502
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805
dimethyl 6-(N-methylanilino)-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
CID 162655566
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The IUPAC name of dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (CID 101363600) is dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.
What is the SMILES notation for dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The canonical SMILES for dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cnc(N(C)C)cc2C1.
What is the InChIKey of dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The InChIKey is GOBCLBIOMFPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)11-5-9-6-14(12(17)19-3,13(18)20-4)7-10(9)8-15-11/h5,8H,6-7H2,1-4H3.
What are the key properties of dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is sourced from PubChem (CID 101363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).