1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide

C13H21BrN2 — CID 3057960

IUPAC1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide
SMILESBr.Cc1cc(C)n(/C=C2/NC(C)CC2C)c1
InChIInChI=1S/C13H20N2.BrH/c1-9-5-12(4)15(7-9)8-13-10(2)6-11(3)14-13;/h5,7-8,10-11,14H,6H2,1-4H3;1H/b13-8+;
InChIKeyQFIMBERFSKZDGL-FNXZNAJJSA-N
MW285.23 g/mol
LogP3.50
Rot. Bonds1

About 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide

1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide (PubChem CID 3057960) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide.

Molecular Properties

Compound Name1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide
PubChem CID3057960
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide
SMILESBr.Cc1cc(C)n(/C=C2/NC(C)CC2C)c1
InChIInChI=1S/C13H20N2.BrH/c1-9-5-12(4)15(7-9)8-13-10(2)6-11(3)14-13;/h5,7-8,10-11,14H,6H2,1-4H3;1H/b13-8+;
InChIKeyQFIMBERFSKZDGL-FNXZNAJJSA-N
XLogP3.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide?
The IUPAC name of 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide (CID 3057960) is 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide.
What is the SMILES notation for 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide?
The canonical SMILES for 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide is Br.Cc1cc(C)n(/C=C2/NC(C)CC2C)c1.
What is the InChIKey of 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide?
The InChIKey is QFIMBERFSKZDGL-FNXZNAJJSA-N. The full InChI is InChI=1S/C13H20N2.BrH/c1-9-5-12(4)15(7-9)8-13-10(2)6-11(3)14-13;/h5,7-8,10-11,14H,6H2,1-4H3;1H/b13-8+;.
What are the key properties of 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide?
1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide has a molecular weight of 285.23 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole;hydrobromide is sourced from PubChem (CID 3057960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).