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

C22H19NO2 — CID 66873447

IUPACmethyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H19NO2/c1-25-22(24)21-14-19-18(10-11-20(19)23-21)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3/b18-13+
InChIKeyBALDDWFJUZGWOX-QGOAFFKASA-N
MW329.40 g/mol
LogP4.96
Rot. Bonds3

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

methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873447) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873447
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namemethyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H19NO2/c1-25-22(24)21-14-19-18(10-11-20(19)23-21)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3/b18-13+
InChIKeyBALDDWFJUZGWOX-QGOAFFKASA-N
XLogP4.96
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873009
methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873323
methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67268992
methyl (4E)-4-benzylidene-1,5,6,7-tetrahydroindole-2-carboxylate
CID 59153336
methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66874077
methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66874079
methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67269524
methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873389
methyl 6-[(3-chlorophenyl)methylidene]-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873701
methyl (6E)-6-[(3-chlorophenyl)methylidene]-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873700
methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873958
methyl 4-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidene]-1-(4-methylphenyl)sulfonyl-5,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873869

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66873447) is methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccccc2)c1.
What is the InChIKey of methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is BALDDWFJUZGWOX-QGOAFFKASA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22(24)21-14-19-18(10-11-20(19)23-21)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3/b18-13+.
What are the key properties of methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).