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

C20H17NO2 — CID 66874079

IUPACmethyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=Cc1ccc2ccccc2c1
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
InChIKeyBWVOLOXIIVIQTD-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.44
Rot. Bonds2

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

methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66874079) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66874079
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namemethyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=Cc1ccc2ccccc2c1
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
InChIKeyBWVOLOXIIVIQTD-UHFFFAOYSA-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

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Related Compounds

methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66874077
methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67268992
methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873447
methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873009
methyl (4E)-4-benzylidene-1,5,6,7-tetrahydroindole-2-carboxylate
CID 59153336
methyl (4E)-4-[[3-(furan-2-yl)phenyl]methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873323
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 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873958
2,7-bis(naphthalen-2-ylmethylidene)cycloheptan-1-one
CID 4607317
methyl (6E)-6-[(3-chlorophenyl)methylidene]-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873700
methyl 6-[(3-chlorophenyl)methylidene]-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873701

Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66874079) is methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CCC2=Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is BWVOLOXIIVIQTD-UHFFFAOYSA-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.
What are the key properties of methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl 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 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66874079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).