1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten

C7H14NOW10- — CID 156621455

IUPAC1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten
SMILESCC(C)N1CC[C-](O)C1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C7H14NO.10W/c1-6(2)8-4-3-7(9)5-8;;;;;;;;;;/h6,9H,3-5H2,1-2H3;;;;;;;;;;/q-1;;;;;;;;;;
InChIKeyBHWQKAGTNYSSFE-UHFFFAOYSA-N
MW1966.59 g/mol
LogP0.98
Rot. Bonds1

About 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten

1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten (PubChem CID 156621455) has the molecular formula C7H14NOW10- and a molecular weight of 1966.59 g/mol. Its IUPAC name is 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten.

Molecular Properties

Compound Name1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten
PubChem CID156621455
Molecular FormulaC7H14NOW10-
Molecular Weight1966.59 g/mol
Exact Mass1967.62
IUPAC Name1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten
SMILESCC(C)N1CC[C-](O)C1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C7H14NO.10W/c1-6(2)8-4-3-7(9)5-8;;;;;;;;;;/h6,9H,3-5H2,1-2H3;;;;;;;;;;/q-1;;;;;;;;;;
InChIKeyBHWQKAGTNYSSFE-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001966.59
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium
CID 170616846
ethane;1-propan-2-ylpyrrolidine
CID 167557798
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten
CID 160975474
ethene;1-propan-2-ylpiperidine
CID 177325228
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
1-propan-2-yl-4-propan-2-ylidenepiperidine
CID 58355811
1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine
CID 159748327

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten?
The IUPAC name of 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten (CID 156621455) is 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten.
What is the SMILES notation for 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten?
The canonical SMILES for 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten is CC(C)N1CC[C-](O)C1.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten?
The InChIKey is BHWQKAGTNYSSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.10W/c1-6(2)8-4-3-7(9)5-8;;;;;;;;;;/h6,9H,3-5H2,1-2H3;;;;;;;;;;/q-1;;;;;;;;;;.
What are the key properties of 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten?
1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten has a molecular weight of 1966.59 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten is sourced from PubChem (CID 156621455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).