5-tetradecyl-1H-pyrrole-2-carbaldehyde

C19H33NO — CID 44605144

IUPAC5-tetradecyl-1H-pyrrole-2-carbaldehyde
SMILESCCCCCCCCCCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(17-21)20-18/h15-17,20H,2-14H2,1H3
InChIKeyVRWBBCYCUOMPBF-UHFFFAOYSA-N
MW291.48 g/mol
LogP6.07
Rot. Bonds14

About 5-tetradecyl-1H-pyrrole-2-carbaldehyde

5-tetradecyl-1H-pyrrole-2-carbaldehyde (PubChem CID 44605144) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-tetradecyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-tetradecyl-1H-pyrrole-2-carbaldehyde
PubChem CID44605144
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-tetradecyl-1H-pyrrole-2-carbaldehyde
SMILESCCCCCCCCCCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(17-21)20-18/h15-17,20H,2-14H2,1H3
InChIKeyVRWBBCYCUOMPBF-UHFFFAOYSA-N
XLogP6.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 56.07
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 5-tetradecyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-tetradecyl-1H-pyrrole-2-carbaldehyde (CID 44605144) is 5-tetradecyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-tetradecyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-tetradecyl-1H-pyrrole-2-carbaldehyde is CCCCCCCCCCCCCCc1ccc(C=O)[nH]1.
What is the InChIKey of 5-tetradecyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is VRWBBCYCUOMPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(17-21)20-18/h15-17,20H,2-14H2,1H3.
What are the key properties of 5-tetradecyl-1H-pyrrole-2-carbaldehyde?
5-tetradecyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 291.48 g/mol, XLogP of 6.07, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tetradecyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 44605144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).