[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane

C9H21NP2 — CID 58160442

IUPAC[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane
SMILESCN1CC(P(C)C)[C@@H](P(C)C)C1
InChIInChI=1S/C9H21NP2/c1-10-6-8(11(2)3)9(7-10)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyYDQCDOXCDBHQHZ-IENPIDJESA-N
MW205.22 g/mol
LogP2.15
Rot. Bonds2

About [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane

[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane (PubChem CID 58160442) has the molecular formula C9H21NP2 and a molecular weight of 205.22 g/mol. Its IUPAC name is [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane.

Molecular Properties

Compound Name[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane
PubChem CID58160442
Molecular FormulaC9H21NP2
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane
SMILESCN1CC(P(C)C)[C@@H](P(C)C)C1
InChIInChI=1S/C9H21NP2/c1-10-6-8(11(2)3)9(7-10)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyYDQCDOXCDBHQHZ-IENPIDJESA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane?
The IUPAC name of [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane (CID 58160442) is [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane.
What is the SMILES notation for [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane?
The canonical SMILES for [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane is CN1CC(P(C)C)[C@@H](P(C)C)C1.
What is the InChIKey of [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane?
The InChIKey is YDQCDOXCDBHQHZ-IENPIDJESA-N. The full InChI is InChI=1S/C9H21NP2/c1-10-6-8(11(2)3)9(7-10)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane?
[(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane has a molecular weight of 205.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-dimethylphosphanyl-1-methylpyrrolidin-3-yl]-dimethylphosphane is sourced from PubChem (CID 58160442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).