1H-pyrrole-2,3,5-tricarbaldehyde

C7H5NO3 — CID 12914964

IUPAC1H-pyrrole-2,3,5-tricarbaldehyde
SMILESO=Cc1cc(C=O)c(C=O)[nH]1
InChIInChI=1S/C7H5NO3/c9-2-5-1-6(3-10)8-7(5)4-11/h1-4,8H
InChIKeyVUXRQLMUKQMWRO-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.45
Rot. Bonds3

About 1H-pyrrole-2,3,5-tricarbaldehyde

1H-pyrrole-2,3,5-tricarbaldehyde (PubChem CID 12914964) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1H-pyrrole-2,3,5-tricarbaldehyde.

Molecular Properties

Compound Name1H-pyrrole-2,3,5-tricarbaldehyde
PubChem CID12914964
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name1H-pyrrole-2,3,5-tricarbaldehyde
SMILESO=Cc1cc(C=O)c(C=O)[nH]1
InChIInChI=1S/C7H5NO3/c9-2-5-1-6(3-10)8-7(5)4-11/h1-4,8H
InChIKeyVUXRQLMUKQMWRO-UHFFFAOYSA-N
XLogP0.45
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2,3,5-tricarbaldehyde?
The IUPAC name of 1H-pyrrole-2,3,5-tricarbaldehyde (CID 12914964) is 1H-pyrrole-2,3,5-tricarbaldehyde.
What is the SMILES notation for 1H-pyrrole-2,3,5-tricarbaldehyde?
The canonical SMILES for 1H-pyrrole-2,3,5-tricarbaldehyde is O=Cc1cc(C=O)c(C=O)[nH]1.
What is the InChIKey of 1H-pyrrole-2,3,5-tricarbaldehyde?
The InChIKey is VUXRQLMUKQMWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-2-5-1-6(3-10)8-7(5)4-11/h1-4,8H.
What are the key properties of 1H-pyrrole-2,3,5-tricarbaldehyde?
1H-pyrrole-2,3,5-tricarbaldehyde has a molecular weight of 151.12 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2,3,5-tricarbaldehyde is sourced from PubChem (CID 12914964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).