methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

C17H17NO2 — CID 67269524

IUPACmethyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=CCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)16-11-14-13(9-10-15(14)18-16)8-7-12-5-3-2-4-6-12/h2-6,8,11,18H,7,9-10H2,1H3
InChIKeyXMZGPSZPKKDDIK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds3

About methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 67269524) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID67269524
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=CCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)16-11-14-13(9-10-15(14)18-16)8-7-12-5-3-2-4-6-12/h2-6,8,11,18H,7,9-10H2,1H3
InChIKeyXMZGPSZPKKDDIK-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873447
methyl (4E)-4-benzylidene-1,5,6,7-tetrahydroindole-2-carboxylate
CID 59153336
methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873389
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 (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873009
methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67268992
methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873958
methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873323
2-(2-phenylethylidene)cyclobutan-1-one
CID 91609931
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 67269524) is methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CCC2=CCc1ccccc1.
What is the InChIKey of methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is XMZGPSZPKKDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)16-11-14-13(9-10-15(14)18-16)8-7-12-5-3-2-4-6-12/h2-6,8,11,18H,7,9-10H2,1H3.
What are the key properties of methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 67269524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).