1-propylpyrrole-3-carbaldehyde

C8H11NO — CID 14739638

IUPAC1-propylpyrrole-3-carbaldehyde
SMILESCCCn1ccc(C=O)c1
InChIInChI=1S/C8H11NO/c1-2-4-9-5-3-8(6-9)7-10/h3,5-7H,2,4H2,1H3
InChIKeyLZILQGJJPDKITG-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.71
Rot. Bonds3

About 1-propylpyrrole-3-carbaldehyde

1-propylpyrrole-3-carbaldehyde (PubChem CID 14739638) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-propylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-propylpyrrole-3-carbaldehyde
PubChem CID14739638
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-propylpyrrole-3-carbaldehyde
SMILESCCCn1ccc(C=O)c1
InChIInChI=1S/C8H11NO/c1-2-4-9-5-3-8(6-9)7-10/h3,5-7H,2,4H2,1H3
InChIKeyLZILQGJJPDKITG-UHFFFAOYSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.71
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 1-propylpyrrole-3-carbaldehyde?
The IUPAC name of 1-propylpyrrole-3-carbaldehyde (CID 14739638) is 1-propylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-propylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-propylpyrrole-3-carbaldehyde is CCCn1ccc(C=O)c1.
What is the InChIKey of 1-propylpyrrole-3-carbaldehyde?
The InChIKey is LZILQGJJPDKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-9-5-3-8(6-9)7-10/h3,5-7H,2,4H2,1H3.
What are the key properties of 1-propylpyrrole-3-carbaldehyde?
1-propylpyrrole-3-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrole-3-carbaldehyde is sourced from PubChem (CID 14739638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).