5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole

C24H43N — CID 72957572

IUPAC5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
SMILESCC1=NCCC1=CCCCCCCCCCCC=CCCCC(C)C
InChIInChI=1S/C24H43N/c1-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24-20-21-25-23(24)3/h10,12,19,22H,4-9,11,13-18,20-21H2,1-3H3
InChIKeySHGBXBWAMDQWFA-UHFFFAOYSA-N
MW345.62 g/mol
LogP8.06
Rot. Bonds15

About 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole

5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole (PubChem CID 72957572) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
PubChem CID72957572
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
SMILESCC1=NCCC1=CCCCCCCCCCCC=CCCCC(C)C
InChIInChI=1S/C24H43N/c1-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24-20-21-25-23(24)3/h10,12,19,22H,4-9,11,13-18,20-21H2,1-3H3
InChIKeySHGBXBWAMDQWFA-UHFFFAOYSA-N
XLogP8.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 58.06
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

Lanopylin B1
CID 10087332
CID 6445873
CID 6445873
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
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
5-Methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
CID 90906145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole?
The IUPAC name of 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole (CID 72957572) is 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole.
What is the SMILES notation for 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole?
The canonical SMILES for 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole is CC1=NCCC1=CCCCCCCCCCCC=CCCCC(C)C.
What is the InChIKey of 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole?
The InChIKey is SHGBXBWAMDQWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24-20-21-25-23(24)3/h10,12,19,22H,4-9,11,13-18,20-21H2,1-3H3.
What are the key properties of 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole?
5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole has a molecular weight of 345.62 g/mol, XLogP of 8.06, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole is sourced from PubChem (CID 72957572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).