pyrrole-1-carbaldehyde

C5H5NO — CID 14359580

IUPACpyrrole-1-carbaldehyde
SMILESO=Cn1cccc1
InChIInChI=1S/C5H5NO/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyPLAHHVUZRZZLQN-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.53
Rot. Bonds1

About pyrrole-1-carbaldehyde

pyrrole-1-carbaldehyde (PubChem CID 14359580) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is pyrrole-1-carbaldehyde.

Molecular Properties

Compound Namepyrrole-1-carbaldehyde
PubChem CID14359580
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Namepyrrole-1-carbaldehyde
SMILESO=Cn1cccc1
InChIInChI=1S/C5H5NO/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyPLAHHVUZRZZLQN-UHFFFAOYSA-N
XLogP0.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.53
H-Bond Donors ≤ 50
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 pyrrole-1-carbaldehyde?
The IUPAC name of pyrrole-1-carbaldehyde (CID 14359580) is pyrrole-1-carbaldehyde.
What is the SMILES notation for pyrrole-1-carbaldehyde?
The canonical SMILES for pyrrole-1-carbaldehyde is O=Cn1cccc1.
What is the InChIKey of pyrrole-1-carbaldehyde?
The InChIKey is PLAHHVUZRZZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-6-3-1-2-4-6/h1-5H.
What are the key properties of pyrrole-1-carbaldehyde?
pyrrole-1-carbaldehyde has a molecular weight of 95.10 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-1-carbaldehyde is sourced from PubChem (CID 14359580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).