tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate

C15H17NO8 — CID 102592904

IUPACtetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C(=O)OC)n(C2CC2)c1C(=O)OC
InChIInChI=1S/C15H17NO8/c1-21-12(17)8-9(13(18)22-2)11(15(20)24-4)16(7-5-6-7)10(8)14(19)23-3/h7H,5-6H2,1-4H3
InChIKeyFSVBEWYGAZHHNY-UHFFFAOYSA-N
MW339.30 g/mol
LogP0.97
Rot. Bonds5

About tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate

tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate (PubChem CID 102592904) has the molecular formula C15H17NO8 and a molecular weight of 339.30 g/mol. Its IUPAC name is tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate
PubChem CID102592904
Molecular FormulaC15H17NO8
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Nametetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C(=O)OC)n(C2CC2)c1C(=O)OC
InChIInChI=1S/C15H17NO8/c1-21-12(17)8-9(13(18)22-2)11(15(20)24-4)16(7-5-6-7)10(8)14(19)23-3/h7H,5-6H2,1-4H3
InChIKeyFSVBEWYGAZHHNY-UHFFFAOYSA-N
XLogP0.97
TPSA110.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate?
The IUPAC name of tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate (CID 102592904) is tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate?
The canonical SMILES for tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate is COC(=O)c1c(C(=O)OC)c(C(=O)OC)n(C2CC2)c1C(=O)OC.
What is the InChIKey of tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate?
The InChIKey is FSVBEWYGAZHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO8/c1-21-12(17)8-9(13(18)22-2)11(15(20)24-4)16(7-5-6-7)10(8)14(19)23-3/h7H,5-6H2,1-4H3.
What are the key properties of tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate?
tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate has a molecular weight of 339.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate is sourced from PubChem (CID 102592904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).