5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde

C11H10N2O2 — CID 4175118

IUPAC5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cc2ccc(C=O)[nH]2)[nH]1
InChIInChI=1S/C11H10N2O2/c14-6-10-3-1-8(12-10)5-9-2-4-11(7-15)13-9/h1-4,6-7,12-13H,5H2
InChIKeyJNHUASRLPMYMFD-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.56
Rot. Bonds4

About 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde

5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 4175118) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
PubChem CID4175118
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cc2ccc(C=O)[nH]2)[nH]1
InChIInChI=1S/C11H10N2O2/c14-6-10-3-1-8(12-10)5-9-2-4-11(7-15)13-9/h1-4,6-7,12-13H,5H2
InChIKeyJNHUASRLPMYMFD-UHFFFAOYSA-N
XLogP1.56
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.56
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-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde (CID 4175118) is 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(Cc2ccc(C=O)[nH]2)[nH]1.
What is the InChIKey of 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is JNHUASRLPMYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-6-10-3-1-8(12-10)5-9-2-4-11(7-15)13-9/h1-4,6-7,12-13H,5H2.
What are the key properties of 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde?
5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-formyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 4175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).