5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole

C22H41N — CID 90906145

IUPAC5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
SMILESC=C1C(C)=NCC1CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H41N/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-22-18-23-21(4)20(22)3/h19,22H,3,5-18H2,1-2,4H3
InChIKeyVHQSZYOKYDRERM-UHFFFAOYSA-N
MW319.58 g/mol
LogP7.36
Rot. Bonds14

About 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole

5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole (PubChem CID 90906145) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
PubChem CID90906145
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
SMILESC=C1C(C)=NCC1CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C22H41N/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-22-18-23-21(4)20(22)3/h19,22H,3,5-18H2,1-2,4H3
InChIKeyVHQSZYOKYDRERM-UHFFFAOYSA-N
XLogP7.36
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 ≤ 57.36
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 A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
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
3-Hexadecyl-5-methyl-4-methylidene-2,3-dihydropyrrole
CID 91530706
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine
CID 54204866
2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
CID 59017032

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole?
The IUPAC name of 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole (CID 90906145) is 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole?
The canonical SMILES for 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole is C=C1C(C)=NCC1CCCCCCCCCCCCCC(C)C.
What is the InChIKey of 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole?
The InChIKey is VHQSZYOKYDRERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-22-18-23-21(4)20(22)3/h19,22H,3,5-18H2,1-2,4H3.
What are the key properties of 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole?
5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole has a molecular weight of 319.58 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole is sourced from PubChem (CID 90906145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).