5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde

C15H12N2O2 — CID 82382353

IUPAC5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde
SMILESCc1c(C=O)[nH]c(-c2ccc3[nH]ccc3c2)c1C=O
InChIInChI=1S/C15H12N2O2/c1-9-12(7-18)15(17-14(9)8-19)11-2-3-13-10(6-11)4-5-16-13/h2-8,16-17H,1H3
InChIKeyNDRWGVADJBEGDP-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.10
Rot. Bonds3

About 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde

5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde (PubChem CID 82382353) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde
PubChem CID82382353
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde
SMILESCc1c(C=O)[nH]c(-c2ccc3[nH]ccc3c2)c1C=O
InChIInChI=1S/C15H12N2O2/c1-9-12(7-18)15(17-14(9)8-19)11-2-3-13-10(6-11)4-5-16-13/h2-8,16-17H,1H3
InChIKeyNDRWGVADJBEGDP-UHFFFAOYSA-N
XLogP3.10
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde?
The IUPAC name of 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde (CID 82382353) is 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde?
The canonical SMILES for 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde is Cc1c(C=O)[nH]c(-c2ccc3[nH]ccc3c2)c1C=O.
What is the InChIKey of 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde?
The InChIKey is NDRWGVADJBEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-12(7-18)15(17-14(9)8-19)11-2-3-13-10(6-11)4-5-16-13/h2-8,16-17H,1H3.
What are the key properties of 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde?
5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-methyl-1H-pyrrole-2,4-dicarbaldehyde is sourced from PubChem (CID 82382353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).