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

C17H17NO3 — CID 67268992

IUPACmethyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-13-5-3-4-11(9-13)8-12-6-7-15-14(12)10-16(18-15)17(19)21-2/h3-5,8-10,18H,6-7H2,1-2H3/b12-8+
InChIKeyRAGGXRQHKCDKDU-XYOKQWHBSA-N
MW283.33 g/mol
LogP3.30
Rot. Bonds3

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

methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 67268992) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID67268992
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-13-5-3-4-11(9-13)8-12-6-7-15-14(12)10-16(18-15)17(19)21-2/h3-5,8-10,18H,6-7H2,1-2H3/b12-8+
InChIKeyRAGGXRQHKCDKDU-XYOKQWHBSA-N
XLogP3.30
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.30
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-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 67268992) is methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(OC)c1.
What is the InChIKey of methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is RAGGXRQHKCDKDU-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-13-5-3-4-11(9-13)8-12-6-7-15-14(12)10-16(18-15)17(19)21-2/h3-5,8-10,18H,6-7H2,1-2H3/b12-8+.
What are the key properties of methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 3.30, 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-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 67268992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).