(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide

C13H17IN2 — CID 6444680

IUPAC(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide
SMILESCC1=CC(C)=N/C1=C/c1[nH]c(C)cc1C.I
InChIInChI=1S/C13H16N2.HI/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H/b13-7+;
InChIKeyKEIPXAZHUXGKSM-FTPOTTDRSA-N
MW328.20 g/mol
LogP4.01
Rot. Bonds1

About (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide

(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide (PubChem CID 6444680) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide.

Molecular Properties

Compound Name(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide
PubChem CID6444680
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide
SMILESCC1=CC(C)=N/C1=C/c1[nH]c(C)cc1C.I
InChIInChI=1S/C13H16N2.HI/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H/b13-7+;
InChIKeyKEIPXAZHUXGKSM-FTPOTTDRSA-N
XLogP4.01
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide?
The IUPAC name of (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide (CID 6444680) is (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide.
What is the SMILES notation for (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide?
The canonical SMILES for (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide is CC1=CC(C)=N/C1=C/c1[nH]c(C)cc1C.I.
What is the InChIKey of (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide?
The InChIKey is KEIPXAZHUXGKSM-FTPOTTDRSA-N. The full InChI is InChI=1S/C13H16N2.HI/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H/b13-7+;.
What are the key properties of (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide?
(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide has a molecular weight of 328.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydroiodide is sourced from PubChem (CID 6444680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).