1,2-dimethylpyrrolidine;methyl(oxo)phosphanium

C7H17NOP+ — CID 173453320

IUPAC1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
SMILESCC1CCCN1C.C[PH+]=O
InChIInChI=1S/C6H13N.CH3OP/c1-6-4-3-5-7(6)2;1-3-2/h6H,3-5H2,1-2H3;1H3/p+1
InChIKeyWBJYDPUXUMFMCQ-UHFFFAOYSA-O
MW162.19 g/mol
LogP1.74
Rot. Bonds

About 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium

1,2-dimethylpyrrolidine;methyl(oxo)phosphanium (PubChem CID 173453320) has the molecular formula C7H17NOP+ and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
PubChem CID173453320
Molecular FormulaC7H17NOP+
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
SMILESCC1CCCN1C.C[PH+]=O
InChIInChI=1S/C6H13N.CH3OP/c1-6-4-3-5-7(6)2;1-3-2/h6H,3-5H2,1-2H3;1H3/p+1
InChIKeyWBJYDPUXUMFMCQ-UHFFFAOYSA-O
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethylpyrrolidine;methanol
CID 158560912
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
1,2-dimethylpyrrolidine;methanesulfonic acid
CID 174719075
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
1,2-dimethylpiperidine;ethane;1,2,6-trimethylpiperidine
CID 142886839
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
CID 170572335
1,2-dimethylpyrrolidine;4-methylbenzaldehyde
CID 142809260
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium?
The IUPAC name of 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium (CID 173453320) is 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium.
What is the SMILES notation for 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium?
The canonical SMILES for 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium is CC1CCCN1C.C[PH+]=O.
What is the InChIKey of 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium?
The InChIKey is WBJYDPUXUMFMCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N.CH3OP/c1-6-4-3-5-7(6)2;1-3-2/h6H,3-5H2,1-2H3;1H3/p+1.
What are the key properties of 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium?
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium has a molecular weight of 162.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;methyl(oxo)phosphanium is sourced from PubChem (CID 173453320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).