(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole

C22H41N — CID 20732637

IUPAC(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
SMILESCC1=NCC/C1=C/CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H41N/c1-20(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-18-19-23-21(22)3/h17,20H,4-16,18-19H2,1-3H3/b22-17-
InChIKeyLOFBKLMVNCIQGF-XLNRJJMWSA-N
MW319.58 g/mol
LogP7.50
Rot. Bonds14

About (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole

(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole (PubChem CID 20732637) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
PubChem CID20732637
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
SMILESCC1=NCC/C1=C/CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H41N/c1-20(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-18-19-23-21(22)3/h17,20H,4-16,18-19H2,1-3H3/b22-17-
InChIKeyLOFBKLMVNCIQGF-XLNRJJMWSA-N
XLogP7.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.50
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

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
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(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 (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole?
The IUPAC name of (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole (CID 20732637) is (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole is CC1=NCC/C1=C/CCCCCCCCCCCCCC(C)C.
What is the InChIKey of (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole?
The InChIKey is LOFBKLMVNCIQGF-XLNRJJMWSA-N. The full InChI is InChI=1S/C22H41N/c1-20(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-18-19-23-21(22)3/h17,20H,4-16,18-19H2,1-3H3/b22-17-.
What are the key properties of (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole?
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole has a molecular weight of 319.58 g/mol, XLogP of 7.50, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole is sourced from PubChem (CID 20732637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).