ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate

C23H23NO5 — CID 129267334

IUPACethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C=O)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23NO5/c1-4-29-22(26)14-24-18(15-25)13-21(16-5-9-19(27-2)10-6-16)23(24)17-7-11-20(28-3)12-8-17/h5-13,15H,4,14H2,1-3H3
InChIKeyVEAPWIZMYQEYSN-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.21
Rot. Bonds8

About ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate

ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate (PubChem CID 129267334) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
PubChem CID129267334
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Nameethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C=O)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23NO5/c1-4-29-22(26)14-24-18(15-25)13-21(16-5-9-19(27-2)10-6-16)23(24)17-7-11-20(28-3)12-8-17/h5-13,15H,4,14H2,1-3H3
InChIKeyVEAPWIZMYQEYSN-UHFFFAOYSA-N
XLogP4.21
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate (CID 129267334) is ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate is CCOC(=O)Cn1c(C=O)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate?
The InChIKey is VEAPWIZMYQEYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-4-29-22(26)14-24-18(15-25)13-21(16-5-9-19(27-2)10-6-16)23(24)17-7-11-20(28-3)12-8-17/h5-13,15H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate?
ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate has a molecular weight of 393.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate is sourced from PubChem (CID 129267334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).