2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde

C10H15NO — CID 2466723

IUPAC2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C(C)C
InChIInChI=1S/C10H15NO/c1-7(2)11-8(3)5-10(6-12)9(11)4/h5-7H,1-4H3
InChIKeyUNLWGQOETWJJKI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.50
Rot. Bonds2

About 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde

2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde (PubChem CID 2466723) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde
PubChem CID2466723
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C(C)C
InChIInChI=1S/C10H15NO/c1-7(2)11-8(3)5-10(6-12)9(11)4/h5-7H,1-4H3
InChIKeyUNLWGQOETWJJKI-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.50
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 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde (CID 2466723) is 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1C(C)C.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde?
The InChIKey is UNLWGQOETWJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)11-8(3)5-10(6-12)9(11)4/h5-7H,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde?
2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde is sourced from PubChem (CID 2466723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).