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

C17H17NO2 — CID 66873009

IUPACmethyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C/c1cccc(C)c1
InChIInChI=1S/C17H17NO2/c1-11-4-3-5-12(8-11)9-13-6-7-15-14(13)10-16(18-15)17(19)20-2/h3-5,8-10,18H,6-7H2,1-2H3/b13-9-
InChIKeyUSACOCAMFCGSKZ-LCYFTJDESA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds2

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

methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873009) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873009
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C/c1cccc(C)c1
InChIInChI=1S/C17H17NO2/c1-11-4-3-5-12(8-11)9-13-6-7-15-14(13)10-16(18-15)17(19)20-2/h3-5,8-10,18H,6-7H2,1-2H3/b13-9-
InChIKeyUSACOCAMFCGSKZ-LCYFTJDESA-N
XLogP3.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl (4Z)-4-[(3-methylphenyl)methylidene]-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-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66873009) is methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C/c1cccc(C)c1.
What is the InChIKey of methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is USACOCAMFCGSKZ-LCYFTJDESA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-3-5-12(8-11)9-13-6-7-15-14(13)10-16(18-15)17(19)20-2/h3-5,8-10,18H,6-7H2,1-2H3/b13-9-.
What are the key properties of methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).