5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole

C24H43N — CID 72781473

IUPAC5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
SMILESCCCCCCC=CCCCCCCCCCCC=C1CCN=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
InChIKeyCTEOHBYQNVFMJZ-UHFFFAOYSA-N
MW345.62 g/mol
LogP8.20
Rot. Bonds16

About 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole

5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole (PubChem CID 72781473) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
PubChem CID72781473
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
SMILESCCCCCCC=CCCCCCCCCCCC=C1CCN=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
InChIKeyCTEOHBYQNVFMJZ-UHFFFAOYSA-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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Related Compounds

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
Lanopylin B1
CID 10087332
Lanopylin A1
CID 9883534
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
N-(2-Ethyl-2-hexenylidene)-1-heneicosanamine
CID 6435659
Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
Koreenceine A
CID 146683591
Azabicyclononene
CID 67125311

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole?
The IUPAC name of 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole (CID 72781473) is 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole.
What is the SMILES notation for 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole?
The canonical SMILES for 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole is CCCCCCC=CCCCCCCCCCCC=C1CCN=C1C.
What is the InChIKey of 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole?
The InChIKey is CTEOHBYQNVFMJZ-UHFFFAOYSA-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.
What are the key properties of 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole?
5-methyl-4-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 5-methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole is sourced from PubChem (CID 72781473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).