(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole

C24H43N — CID 11279421

IUPAC(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole
SMILESCCCCCC/C=C\CCCCCCCCCC/C=C1\CCN=C1C
InChIInChI=1S/C24H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-23(24)2/h8-9,20H,3-7,10-19,21-22H2,1-2H3/b9-8-,24-20+
InChIKeyCTEOHBYQNVFMJZ-ZIKBOSLESA-N
MW345.62 g/mol
LogP8.20
Rot. Bonds16

About (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole

(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole (PubChem CID 11279421) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole
PubChem CID11279421
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole
SMILESCCCCCC/C=C\CCCCCCCCCC/C=C1\CCN=C1C
InChIInChI=1S/C24H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-23(24)2/h8-9,20H,3-7,10-19,21-22H2,1-2H3/b9-8-,24-20+
InChIKeyCTEOHBYQNVFMJZ-ZIKBOSLESA-N
XLogP8.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 58.20
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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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole?
The IUPAC name of (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole (CID 11279421) is (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole.
What is the SMILES notation for (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole?
The canonical SMILES for (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole is CCCCCC/C=C\CCCCCCCCCC/C=C1\CCN=C1C.
What is the InChIKey of (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole?
The InChIKey is CTEOHBYQNVFMJZ-ZIKBOSLESA-N. The full InChI is InChI=1S/C24H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-23(24)2/h8-9,20H,3-7,10-19,21-22H2,1-2H3/b9-8-,24-20+.
What are the key properties of (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole?
(4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole has a molecular weight of 345.62 g/mol, XLogP of 8.20, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-4-[(Z)-nonadec-12-enylidene]-2,3-dihydropyrrole is sourced from PubChem (CID 11279421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).