5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde

C20H22N2O3 — CID 10382504

IUPAC5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde
SMILESCCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)o2)[nH]c1C=O
InChIInChI=1S/C20H22N2O3/c1-3-5-13-9-15(21-17(13)11-23)19-7-8-20(25-19)16-10-14(6-4-2)18(12-24)22-16/h7-12,21-22H,3-6H2,1-2H3
InChIKeyKHSSRGIFMYWFFX-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.80
Rot. Bonds8

About 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde

5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde (PubChem CID 10382504) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde
PubChem CID10382504
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde
SMILESCCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)o2)[nH]c1C=O
InChIInChI=1S/C20H22N2O3/c1-3-5-13-9-15(21-17(13)11-23)19-7-8-20(25-19)16-10-14(6-4-2)18(12-24)22-16/h7-12,21-22H,3-6H2,1-2H3
InChIKeyKHSSRGIFMYWFFX-UHFFFAOYSA-N
XLogP4.80
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde (CID 10382504) is 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde is CCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)o2)[nH]c1C=O.
What is the InChIKey of 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is KHSSRGIFMYWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-5-13-9-15(21-17(13)11-23)19-7-8-20(25-19)16-10-14(6-4-2)18(12-24)22-16/h7-12,21-22H,3-6H2,1-2H3.
What are the key properties of 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde?
5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)furan-2-yl]-3-propyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10382504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).