methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate

C20H18N2O4 — CID 42654162

IUPACmethyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2ccco2)c1C1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C20H18N2O4/c1-10-6-7-13-12(9-10)16(19(23)22-13)17-15(20(24)25-3)11(2)21-18(17)14-5-4-8-26-14/h4-9,16,21H,1-3H3,(H,22,23)
InChIKeyPLBOQQUINIVQCP-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.76
Rot. Bonds3

About methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate

methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate (PubChem CID 42654162) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
PubChem CID42654162
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2ccco2)c1C1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C20H18N2O4/c1-10-6-7-13-12(9-10)16(19(23)22-13)17-15(20(24)25-3)11(2)21-18(17)14-5-4-8-26-14/h4-9,16,21H,1-3H3,(H,22,23)
InChIKeyPLBOQQUINIVQCP-UHFFFAOYSA-N
XLogP3.76
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate (CID 42654162) is methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(-c2ccco2)c1C1C(=O)Nc2ccc(C)cc21.
What is the InChIKey of methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate?
The InChIKey is PLBOQQUINIVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-10-6-7-13-12(9-10)16(19(23)22-13)17-15(20(24)25-3)11(2)21-18(17)14-5-4-8-26-14/h4-9,16,21H,1-3H3,(H,22,23).
What are the key properties of methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate?
methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 42654162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).