2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole

C18H33N — CID 135256954

IUPAC2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole
SMILESC=C1C=CC(C)N1CCCC(C)CCCCCCC
InChIInChI=1S/C18H33N/c1-5-6-7-8-9-11-16(2)12-10-15-19-17(3)13-14-18(19)4/h13-14,16,18H,3,5-12,15H2,1-2,4H3
InChIKeyZDPJJVKCQDJYFB-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.54
Rot. Bonds10

About 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole

2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole (PubChem CID 135256954) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole
PubChem CID135256954
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole
SMILESC=C1C=CC(C)N1CCCC(C)CCCCCCC
InChIInChI=1S/C18H33N/c1-5-6-7-8-9-11-16(2)12-10-15-19-17(3)13-14-18(19)4/h13-14,16,18H,3,5-12,15H2,1-2,4H3
InChIKeyZDPJJVKCQDJYFB-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.54
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole?
The IUPAC name of 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole (CID 135256954) is 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole.
What is the SMILES notation for 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole?
The canonical SMILES for 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole is C=C1C=CC(C)N1CCCC(C)CCCCCCC.
What is the InChIKey of 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole?
The InChIKey is ZDPJJVKCQDJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-5-6-7-8-9-11-16(2)12-10-15-19-17(3)13-14-18(19)4/h13-14,16,18H,3,5-12,15H2,1-2,4H3.
What are the key properties of 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole?
2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole has a molecular weight of 263.47 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-1-(4-methylundecyl)-2H-pyrrole is sourced from PubChem (CID 135256954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).