3-nonadecyl-1H-pyrrole-2-carbaldehyde

C24H43NO — CID 162907089

IUPAC3-nonadecyl-1H-pyrrole-2-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCc1cc[nH]c1C=O
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-25-24(23)22-26/h20-22,25H,2-19H2,1H3
InChIKeyYFRRMMHQXZVEFB-UHFFFAOYSA-N
MW361.61 g/mol
LogP8.02
Rot. Bonds19

About 3-nonadecyl-1H-pyrrole-2-carbaldehyde

3-nonadecyl-1H-pyrrole-2-carbaldehyde (PubChem CID 162907089) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 3-nonadecyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-nonadecyl-1H-pyrrole-2-carbaldehyde
PubChem CID162907089
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name3-nonadecyl-1H-pyrrole-2-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCc1cc[nH]c1C=O
InChIInChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-25-24(23)22-26/h20-22,25H,2-19H2,1H3
InChIKeyYFRRMMHQXZVEFB-UHFFFAOYSA-N
XLogP8.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nonadecyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3-nonadecyl-1H-pyrrole-2-carbaldehyde (CID 162907089) is 3-nonadecyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3-nonadecyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3-nonadecyl-1H-pyrrole-2-carbaldehyde is CCCCCCCCCCCCCCCCCCCc1cc[nH]c1C=O.
What is the InChIKey of 3-nonadecyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is YFRRMMHQXZVEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-25-24(23)22-26/h20-22,25H,2-19H2,1H3.
What are the key properties of 3-nonadecyl-1H-pyrrole-2-carbaldehyde?
3-nonadecyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 361.61 g/mol, XLogP of 8.02, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonadecyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 162907089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).