methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate

C15H12ClNO3 — CID 4048817

IUPACmethyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3
InChIKeyWZWGYJPUUIFLRC-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.72
Rot. Bonds3

About methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 4048817) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID4048817
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Namemethyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3
InChIKeyWZWGYJPUUIFLRC-UHFFFAOYSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
3-[5-(4-chlorophenyl)-1-(2-furylmethyl)-1H-pyrrol-2-yl]propanoic acid
CID 893940
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
4-(2-Chloro-6-fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438713
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 2-methyl-4-{2-[methyl(phenyl)amino]-2-oxoethyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3243502
methyl 4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 15944686

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 4048817) is methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is WZWGYJPUUIFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 289.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 4048817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).