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

C20H17NO2 — CID 66874077

IUPACmethyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C/c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-23-20(22)19-12-17-16(8-9-18(17)21-19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10-12,21H,8-9H2,1H3/b16-11-
InChIKeyBWVOLOXIIVIQTD-WJDWOHSUSA-N
MW303.36 g/mol
LogP4.44
Rot. Bonds2

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

methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66874077) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66874077
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namemethyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C/c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-23-20(22)19-12-17-16(8-9-18(17)21-19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10-12,21H,8-9H2,1H3/b16-11-
InChIKeyBWVOLOXIIVIQTD-WJDWOHSUSA-N
XLogP4.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66874077) is methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C/c1ccc2ccccc2c1.
What is the InChIKey of methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is BWVOLOXIIVIQTD-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-20(22)19-12-17-16(8-9-18(17)21-19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10-12,21H,8-9H2,1H3/b16-11-.
What are the key properties of methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66874077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).