1-(trimethylazaniumyl)propan-1-olate

C6H15NO — CID 10307854

IUPAC1-(trimethylazaniumyl)propan-1-olate
SMILESCCC([O-])[N+](C)(C)C
InChIInChI=1S/C6H15NO/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3
InChIKeyRWVUBDLYVGLRLM-UHFFFAOYSA-N
MW117.19 g/mol
LogP-0.21
Rot. Bonds2

About 1-(trimethylazaniumyl)propan-1-olate

1-(trimethylazaniumyl)propan-1-olate (PubChem CID 10307854) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-(trimethylazaniumyl)propan-1-olate.

Molecular Properties

Compound Name1-(trimethylazaniumyl)propan-1-olate
PubChem CID10307854
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-(trimethylazaniumyl)propan-1-olate
SMILESCCC([O-])[N+](C)(C)C
InChIInChI=1S/C6H15NO/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3
InChIKeyRWVUBDLYVGLRLM-UHFFFAOYSA-N
XLogP-0.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trimethylazaniumyl)propan-1-olate?
The IUPAC name of 1-(trimethylazaniumyl)propan-1-olate (CID 10307854) is 1-(trimethylazaniumyl)propan-1-olate.
What is the SMILES notation for 1-(trimethylazaniumyl)propan-1-olate?
The canonical SMILES for 1-(trimethylazaniumyl)propan-1-olate is CCC([O-])[N+](C)(C)C.
What is the InChIKey of 1-(trimethylazaniumyl)propan-1-olate?
The InChIKey is RWVUBDLYVGLRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-(trimethylazaniumyl)propan-1-olate?
1-(trimethylazaniumyl)propan-1-olate has a molecular weight of 117.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trimethylazaniumyl)propan-1-olate is sourced from PubChem (CID 10307854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).