2,5-dimethyl-1-propylpyrrole-3-carbaldehyde

C10H15NO — CID 2400455

IUPAC2,5-dimethyl-1-propylpyrrole-3-carbaldehyde
SMILESCCCn1c(C)cc(C=O)c1C
InChIInChI=1S/C10H15NO/c1-4-5-11-8(2)6-10(7-12)9(11)3/h6-7H,4-5H2,1-3H3
InChIKeyGETOENOXCMONOE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.33
Rot. Bonds3

About 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde

2,5-dimethyl-1-propylpyrrole-3-carbaldehyde (PubChem CID 2400455) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-propylpyrrole-3-carbaldehyde
PubChem CID2400455
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,5-dimethyl-1-propylpyrrole-3-carbaldehyde
SMILESCCCn1c(C)cc(C=O)c1C
InChIInChI=1S/C10H15NO/c1-4-5-11-8(2)6-10(7-12)9(11)3/h6-7H,4-5H2,1-3H3
InChIKeyGETOENOXCMONOE-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.33
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-propylpyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde (CID 2400455) is 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde is CCCn1c(C)cc(C=O)c1C.
What is the InChIKey of 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde?
The InChIKey is GETOENOXCMONOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-11-8(2)6-10(7-12)9(11)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde?
2,5-dimethyl-1-propylpyrrole-3-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propylpyrrole-3-carbaldehyde is sourced from PubChem (CID 2400455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).