(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide

C17H21Br5N2 — CID 5387606

IUPAC(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide
SMILESBr.CCC1=C(C)/C(=C/c2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br
InChIInChI=1S/C17H20Br4N2.BrH/c1-5-10-8(3)12(22-14(10)16(18)19)7-13-9(4)11(6-2)15(23-13)17(20)21;/h7,16-17,22H,5-6H2,1-4H3;1H/b13-7-;
InChIKeyFOUCWSJDLWQKOT-QCCGTXRUSA-N
MW652.89 g/mol
LogP7.89
Rot. Bonds5

About (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide

(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide (PubChem CID 5387606) has the molecular formula C17H21Br5N2 and a molecular weight of 652.89 g/mol. Its IUPAC name is (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide.

Molecular Properties

Compound Name(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide
PubChem CID5387606
Molecular FormulaC17H21Br5N2
Molecular Weight652.89 g/mol
Exact Mass647.76
IUPAC Name(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide
SMILESBr.CCC1=C(C)/C(=C/c2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br
InChIInChI=1S/C17H20Br4N2.BrH/c1-5-10-8(3)12(22-14(10)16(18)19)7-13-9(4)11(6-2)15(23-13)17(20)21;/h7,16-17,22H,5-6H2,1-4H3;1H/b13-7-;
InChIKeyFOUCWSJDLWQKOT-QCCGTXRUSA-N
XLogP7.89
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.89
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide?
The IUPAC name of (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide (CID 5387606) is (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide.
What is the SMILES notation for (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide?
The canonical SMILES for (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide is Br.CCC1=C(C)/C(=C/c2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br.
What is the InChIKey of (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide?
The InChIKey is FOUCWSJDLWQKOT-QCCGTXRUSA-N. The full InChI is InChI=1S/C17H20Br4N2.BrH/c1-5-10-8(3)12(22-14(10)16(18)19)7-13-9(4)11(6-2)15(23-13)17(20)21;/h7,16-17,22H,5-6H2,1-4H3;1H/b13-7-;.
What are the key properties of (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide?
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide has a molecular weight of 652.89 g/mol, XLogP of 7.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole;hydrobromide is sourced from PubChem (CID 5387606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).