3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride

C7H15ClN2O — CID 57349220

IUPAC3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride
SMILESCN1C=C[NH+](CCCO)C1.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-8-4-5-9(7-8)3-2-6-10;/h4-5,10H,2-3,6-7H2,1H3;1H
InChIKeyHMAWKVYQPJVULI-UHFFFAOYSA-N
MW178.66 g/mol
LogP-4.37
Rot. Bonds3

About 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride

3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride (PubChem CID 57349220) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride.

Molecular Properties

Compound Name3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride
PubChem CID57349220
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride
SMILESCN1C=C[NH+](CCCO)C1.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-8-4-5-9(7-8)3-2-6-10;/h4-5,10H,2-3,6-7H2,1H3;1H
InChIKeyHMAWKVYQPJVULI-UHFFFAOYSA-N
XLogP-4.37
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 5-4.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride?
The IUPAC name of 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride (CID 57349220) is 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride.
What is the SMILES notation for 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride?
The canonical SMILES for 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride is CN1C=C[NH+](CCCO)C1.[Cl-].
What is the InChIKey of 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride?
The InChIKey is HMAWKVYQPJVULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-8-4-5-9(7-8)3-2-6-10;/h4-5,10H,2-3,6-7H2,1H3;1H.
What are the key properties of 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride?
3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride has a molecular weight of 178.66 g/mol, XLogP of -4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-1-ol chloride is sourced from PubChem (CID 57349220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).