1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole

C24H43N — CID 68723944

IUPAC1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole
SMILESCCC/C=C(\C)C(CCCCCCCCCCCCC)n1cccc1
InChIInChI=1S/C24H43N/c1-4-6-8-9-10-11-12-13-14-15-16-20-24(23(3)19-7-5-2)25-21-17-18-22-25/h17-19,21-22,24H,4-16,20H2,1-3H3/b23-19+
InChIKeyFOTJULLNYBGIST-FCDQGJHFSA-N
MW345.62 g/mol
LogP8.48
Rot. Bonds16

About 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole

1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole (PubChem CID 68723944) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole.

Molecular Properties

Compound Name1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole
PubChem CID68723944
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole
SMILESCCC/C=C(\C)C(CCCCCCCCCCCCC)n1cccc1
InChIInChI=1S/C24H43N/c1-4-6-8-9-10-11-12-13-14-15-16-20-24(23(3)19-7-5-2)25-21-17-18-22-25/h17-19,21-22,24H,4-16,20H2,1-3H3/b23-19+
InChIKeyFOTJULLNYBGIST-FCDQGJHFSA-N
XLogP8.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(10-methyltricos-9-en-11-yl)pyrrole
CID 68723893
1-(8-methylnonadec-8-en-7-yl)pyrrole-2,5-diol
CID 90924461
1-(8-methyltricos-8-en-7-yl)pyrrole-2,5-diol
CID 91384268
1-(10-methylhenicos-10-en-9-yl)pyrrole-2,5-diol
CID 91115494
1-(10-methyltricos-9-en-11-yl)pyrrole-2,5-diol
CID 90822468
1-(11-methyltricos-10-en-12-yl)pyrrole-2,5-diol
CID 91455547
1-(6-methylpentacos-5-en-7-yl)pyrrole-2,5-diol
CID 91075537
1-(7-methylnonadec-7-en-6-yl)pyrrolidine-2,5-dione
CID 68597730
1-(10-methyltricos-10-en-9-yl)pyrrolidine-2,5-dione
CID 68595940
2-pyrrol-1-ylhexanamide
CID 175737735
tert-butyl 2-pyrrol-1-ylheptanoate
CID 174581045
1-[(E)-6-methyltricos-6-en-5-yl]pyrrolidine-2,5-dione
CID 68597885

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole?
The IUPAC name of 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole (CID 68723944) is 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole.
What is the SMILES notation for 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole?
The canonical SMILES for 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole is CCC/C=C(\C)C(CCCCCCCCCCCCC)n1cccc1.
What is the InChIKey of 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole?
The InChIKey is FOTJULLNYBGIST-FCDQGJHFSA-N. The full InChI is InChI=1S/C24H43N/c1-4-6-8-9-10-11-12-13-14-15-16-20-24(23(3)19-7-5-2)25-21-17-18-22-25/h17-19,21-22,24H,4-16,20H2,1-3H3/b23-19+.
What are the key properties of 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole?
1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole has a molecular weight of 345.62 g/mol, XLogP of 8.48, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-methylnonadec-4-en-6-yl]pyrrole is sourced from PubChem (CID 68723944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).