3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one

C21H20N2O4 — CID 24894117

IUPAC3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
InChIKeyYTFRDKYCZHOSMM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.23
Rot. Bonds5

About 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one

3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one (PubChem CID 24894117) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
PubChem CID24894117
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
InChIKeyYTFRDKYCZHOSMM-UHFFFAOYSA-N
XLogP3.23
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one (CID 24894117) is 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one is COc1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)cc(OC)c1OC.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is YTFRDKYCZHOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 364.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 24894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).