3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole

C23H23N3O2 — CID 173275664

IUPAC3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESCCOc1cccc(C2=CC=NC2=Cc2[nH]c(-c3ccc[nH]3)cc2OCC)c1
InChIInChI=1S/C23H23N3O2/c1-3-27-17-8-5-7-16(13-17)18-10-12-25-20(18)14-22-23(28-4-2)15-21(26-22)19-9-6-11-24-19/h5-15,24,26H,3-4H2,1-2H3
InChIKeyARIOPCYJFGHAOO-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.32
Rot. Bonds7

About 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole

3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole (PubChem CID 173275664) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole
PubChem CID173275664
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESCCOc1cccc(C2=CC=NC2=Cc2[nH]c(-c3ccc[nH]3)cc2OCC)c1
InChIInChI=1S/C23H23N3O2/c1-3-27-17-8-5-7-16(13-17)18-10-12-25-20(18)14-22-23(28-4-2)15-21(26-22)19-9-6-11-24-19/h5-15,24,26H,3-4H2,1-2H3
InChIKeyARIOPCYJFGHAOO-UHFFFAOYSA-N
XLogP5.32
TPSA62.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
CID 106520631
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-chloro-5-(3-ethoxyphenyl)pyrazine
CID 56721049

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole?
The IUPAC name of 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole (CID 173275664) is 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole.
What is the SMILES notation for 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole?
The canonical SMILES for 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole is CCOc1cccc(C2=CC=NC2=Cc2[nH]c(-c3ccc[nH]3)cc2OCC)c1.
What is the InChIKey of 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole?
The InChIKey is ARIOPCYJFGHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-27-17-8-5-7-16(13-17)18-10-12-25-20(18)14-22-23(28-4-2)15-21(26-22)19-9-6-11-24-19/h5-15,24,26H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole?
3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole has a molecular weight of 373.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[[3-(3-ethoxyphenyl)pyrrol-2-ylidene]methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole is sourced from PubChem (CID 173275664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).