1-docosylpyrrole

C26H49N — CID 23344131

IUPAC1-docosylpyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C26H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26-27/h22-23,25-26H,2-21,24H2,1H3
InChIKeyRBQPXVFLPRZVGM-UHFFFAOYSA-N
MW375.69 g/mol
LogP9.31
Rot. Bonds21

About 1-docosylpyrrole

1-docosylpyrrole (PubChem CID 23344131) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-docosylpyrrole.

Molecular Properties

Compound Name1-docosylpyrrole
PubChem CID23344131
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC Name1-docosylpyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C26H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26-27/h22-23,25-26H,2-21,24H2,1H3
InChIKeyRBQPXVFLPRZVGM-UHFFFAOYSA-N
XLogP9.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecylpyrrole
CID 23344128
1-pentylpyrrole;propane
CID 174972146
1-(7-ethylheptadecyl)pyrrole
CID 175196584
dodecyl-dimethyl-(2-pyrrol-1-ylethyl)azanium
CID 91601822
1-decylpyridin-4-imine
CID 534503
1-octylpyrrole;tetrabutylazanium;trifluoromethanesulfonate
CID 22311736
1-dodecylpyrrole;pyrrolidin-2-one
CID 175299965
1-pyrrol-1-yloctadecan-2-one
CID 3310320
1-hexyl-3,4-dimethylpyrrole
CID 11252331
1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
CID 58935096
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
N,1-di(nonyl)pyridin-4-imine
CID 14198651

Frequently Asked Questions

What is the IUPAC name of 1-docosylpyrrole?
The IUPAC name of 1-docosylpyrrole (CID 23344131) is 1-docosylpyrrole.
What is the SMILES notation for 1-docosylpyrrole?
The canonical SMILES for 1-docosylpyrrole is CCCCCCCCCCCCCCCCCCCCCCn1cccc1.
What is the InChIKey of 1-docosylpyrrole?
The InChIKey is RBQPXVFLPRZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26-27/h22-23,25-26H,2-21,24H2,1H3.
What are the key properties of 1-docosylpyrrole?
1-docosylpyrrole has a molecular weight of 375.69 g/mol, XLogP of 9.31, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-docosylpyrrole is sourced from PubChem (CID 23344131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).