2,5-dihydro-1H-pyrrole-2-carbaldehyde

C5H7NO — CID 20648808

IUPAC2,5-dihydro-1H-pyrrole-2-carbaldehyde
SMILESO=CC1C=CCN1
InChIInChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-2,4-6H,3H2
InChIKeyWFOXXJVMTRNACV-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.29
Rot. Bonds1

About 2,5-dihydro-1H-pyrrole-2-carbaldehyde

2,5-dihydro-1H-pyrrole-2-carbaldehyde (PubChem CID 20648808) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole-2-carbaldehyde
PubChem CID20648808
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2,5-dihydro-1H-pyrrole-2-carbaldehyde
SMILESO=CC1C=CCN1
InChIInChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-2,4-6H,3H2
InChIKeyWFOXXJVMTRNACV-UHFFFAOYSA-N
XLogP-0.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 2,5-dihydro-1H-pyrrole-2-carbaldehyde (CID 20648808) is 2,5-dihydro-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 2,5-dihydro-1H-pyrrole-2-carbaldehyde is O=CC1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrole-2-carbaldehyde?
The InChIKey is WFOXXJVMTRNACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-2,4-6H,3H2.
What are the key properties of 2,5-dihydro-1H-pyrrole-2-carbaldehyde?
2,5-dihydro-1H-pyrrole-2-carbaldehyde has a molecular weight of 97.12 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 20648808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).