2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole

C17H30BrN — CID 146376830

IUPAC2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole
SMILESCCCCCCCC(C)(CCCC)c1cc[nH]c1Br
InChIInChI=1S/C17H30BrN/c1-4-6-8-9-10-13-17(3,12-7-5-2)15-11-14-19-16(15)18/h11,14,19H,4-10,12-13H2,1-3H3
InChIKeyPOLMEIHBLQXLCY-UHFFFAOYSA-N
MW328.34 g/mol
LogP6.59
Rot. Bonds10

About 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole

2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole (PubChem CID 146376830) has the molecular formula C17H30BrN and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole
PubChem CID146376830
Molecular FormulaC17H30BrN
Molecular Weight328.34 g/mol
Exact Mass327.16
IUPAC Name2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole
SMILESCCCCCCCC(C)(CCCC)c1cc[nH]c1Br
InChIInChI=1S/C17H30BrN/c1-4-6-8-9-10-13-17(3,12-7-5-2)15-11-14-19-16(15)18/h11,14,19H,4-10,12-13H2,1-3H3
InChIKeyPOLMEIHBLQXLCY-UHFFFAOYSA-N
XLogP6.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.34
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-1-(5-methyldecan-5-yl)benzene
CID 134536089
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
1-bromo-3-methyl-2-(5-methylundecan-5-yl)benzene
CID 146636965
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2,5-difluoro-3-(6-methyldodecan-6-yl)-1H-pyrrole
CID 146377794
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
4-(5-methylundecan-5-yl)pyridine
CID 146178387
1-(5-methyldodecan-5-yl)-2-nitrobenzene
CID 134225641
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole?
The IUPAC name of 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole (CID 146376830) is 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole.
What is the SMILES notation for 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole?
The canonical SMILES for 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole is CCCCCCCC(C)(CCCC)c1cc[nH]c1Br.
What is the InChIKey of 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole?
The InChIKey is POLMEIHBLQXLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN/c1-4-6-8-9-10-13-17(3,12-7-5-2)15-11-14-19-16(15)18/h11,14,19H,4-10,12-13H2,1-3H3.
What are the key properties of 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole?
2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole has a molecular weight of 328.34 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole is sourced from PubChem (CID 146376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).