19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile

C24H40N2O — CID 44604946

IUPAC19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
SMILESN#CCCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C24H40N2O/c25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-19-20-24(22-27)26-23/h19-20,22,26H,1-18H2
InChIKeyLDVULBCKOKWVIQ-UHFFFAOYSA-N
MW372.60 g/mol
LogP7.52
Rot. Bonds19

About 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile

19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile (PubChem CID 44604946) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile.

Molecular Properties

Compound Name19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
PubChem CID44604946
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
SMILESN#CCCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C24H40N2O/c25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-19-20-24(22-27)26-23/h19-20,22,26H,1-18H2
InChIKeyLDVULBCKOKWVIQ-UHFFFAOYSA-N
XLogP7.52
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile?
The IUPAC name of 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile (CID 44604946) is 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile.
What is the SMILES notation for 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile?
The canonical SMILES for 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile is N#CCCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1.
What is the InChIKey of 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile?
The InChIKey is LDVULBCKOKWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-19-20-24(22-27)26-23/h19-20,22,26H,1-18H2.
What are the key properties of 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile?
19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile has a molecular weight of 372.60 g/mol, XLogP of 7.52, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile is sourced from PubChem (CID 44604946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).