1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride

C5H10ClN — CID 68589039

IUPAC1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride
SMILESC[NH+]1C=CCC1.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-6-4-2-3-5-6;/h2,4H,3,5H2,1H3;1H
InChIKeyRRRGLKZEDWNIFF-UHFFFAOYSA-N
MW119.59 g/mol
LogP-3.58
Rot. Bonds

About 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride

1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride (PubChem CID 68589039) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride
PubChem CID68589039
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride
SMILESC[NH+]1C=CCC1.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-6-4-2-3-5-6;/h2,4H,3,5H2,1H3;1H
InChIKeyRRRGLKZEDWNIFF-UHFFFAOYSA-N
XLogP-3.58
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride?
The IUPAC name of 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride (CID 68589039) is 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride.
What is the SMILES notation for 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride?
The canonical SMILES for 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride is C[NH+]1C=CCC1.[Cl-].
What is the InChIKey of 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride?
The InChIKey is RRRGLKZEDWNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-6-4-2-3-5-6;/h2,4H,3,5H2,1H3;1H.
What are the key properties of 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride?
1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride has a molecular weight of 119.59 g/mol, XLogP of -3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydro-1H-pyrrol-1-ium chloride is sourced from PubChem (CID 68589039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).