ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate

C19H18N2O3 — CID 13087342

IUPACethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(-c3ccc(C)cc3)cc2n1CCC#N
InChIInChI=1S/C19H18N2O3/c1-3-23-19(22)16-12-18-15(21(16)10-4-9-20)11-17(24-18)14-7-5-13(2)6-8-14/h5-8,11-12H,3-4,10H2,1-2H3
InChIKeyHRDMLRDXMWOVRE-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.30
Rot. Bonds5

About ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 13087342) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate
PubChem CID13087342
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(-c3ccc(C)cc3)cc2n1CCC#N
InChIInChI=1S/C19H18N2O3/c1-3-23-19(22)16-12-18-15(21(16)10-4-9-20)11-17(24-18)14-7-5-13(2)6-8-14/h5-8,11-12H,3-4,10H2,1-2H3
InChIKeyHRDMLRDXMWOVRE-UHFFFAOYSA-N
XLogP4.30
TPSA68.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(4-methoxyphenyl)furo[3,2-b]pyrrole-5-carboxylate
CID 58814464
ethyl 1-(cyanomethyl)-5-methylindole-2-carboxylate
CID 14595499
ethyl 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 6487708
ethyl 6-cyano-1-(2-fluoroethyl)indole-2-carboxylate
CID 142633823
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 3229403
diethyl 1-(3-cyanopropyl)pyrrole-2,4-dicarboxylate
CID 67228752
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 71756324
ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438768
ethyl 1-(cyanomethyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 156821165

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate (CID 13087342) is ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(-c3ccc(C)cc3)cc2n1CCC#N.
What is the InChIKey of ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HRDMLRDXMWOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-19(22)16-12-18-15(21(16)10-4-9-20)11-17(24-18)14-7-5-13(2)6-8-14/h5-8,11-12H,3-4,10H2,1-2H3.
What are the key properties of ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyanoethyl)-2-(4-methylphenyl)furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 13087342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).