methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

C20H17NO3 — CID 66873323

IUPACmethyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccco2)c1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-12-16-14(7-8-17(16)21-18)10-13-4-2-5-15(11-13)19-6-3-9-24-19/h2-6,9-12,21H,7-8H2,1H3/b14-10+
InChIKeyZVRKRAXUTZLYTI-GXDHUFHOSA-N
MW319.36 g/mol
LogP4.55
Rot. Bonds3

About methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873323) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873323
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccco2)c1
InChIInChI=1S/C20H17NO3/c1-23-20(22)18-12-16-14(7-8-17(16)21-18)10-13-4-2-5-15(11-13)19-6-3-9-24-19/h2-6,9-12,21H,7-8H2,1H3/b14-10+
InChIKeyZVRKRAXUTZLYTI-GXDHUFHOSA-N
XLogP4.55
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66873323) is methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccco2)c1.
What is the InChIKey of methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is ZVRKRAXUTZLYTI-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-20(22)18-12-16-14(7-8-17(16)21-18)10-13-4-2-5-15(11-13)19-6-3-9-24-19/h2-6,9-12,21H,7-8H2,1H3/b14-10+.
What are the key properties of methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).