1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde

C10H13NO — CID 693331

IUPAC1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CC1
InChIInChI=1S/C10H13NO/c1-7-5-9(6-12)8(2)11(7)10-3-4-10/h5-6,10H,3-4H2,1-2H3
InChIKeyZBULWGFKZMHJLU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds2

About 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde

1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 693331) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID693331
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CC1
InChIInChI=1S/C10H13NO/c1-7-5-9(6-12)8(2)11(7)10-3-4-10/h5-6,10H,3-4H2,1-2H3
InChIKeyZBULWGFKZMHJLU-UHFFFAOYSA-N
XLogP2.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.25
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-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde (CID 693331) is 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is ZBULWGFKZMHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9(6-12)8(2)11(7)10-3-4-10/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde?
1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 693331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).