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

C13H17ClN2 — CID 53411849

IUPAC2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride
SMILESCC1=CC(C)=NC1=Cc1[nH]c(C)cc1C.Cl
InChIInChI=1S/C13H16N2.ClH/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H
InChIKeySONPMPUHCHDTQZ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.82
Rot. Bonds1

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

2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride (PubChem CID 53411849) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride
PubChem CID53411849
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride
SMILESCC1=CC(C)=NC1=Cc1[nH]c(C)cc1C.Cl
InChIInChI=1S/C13H16N2.ClH/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H
InChIKeySONPMPUHCHDTQZ-UHFFFAOYSA-N
XLogP3.82
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride (CID 53411849) is 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride is CC1=CC(C)=NC1=Cc1[nH]c(C)cc1C.Cl.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride?
The InChIKey is SONPMPUHCHDTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H.
What are the key properties of 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride?
2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride is sourced from PubChem (CID 53411849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).