[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane

C5H13NP2 — CID 129235133

IUPAC[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane
SMILESCN1CC(P)[C@@H](P)C1
InChIInChI=1S/C5H13NP2/c1-6-2-4(7)5(8)3-6/h4-5H,2-3,7-8H2,1H3/t4-,5?/m0/s1
InChIKeyNTEALMKKBZCHPV-ROLXFIACSA-N
MW149.11 g/mol
LogP0.42
Rot. Bonds

About [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane

[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane (PubChem CID 129235133) has the molecular formula C5H13NP2 and a molecular weight of 149.11 g/mol. Its IUPAC name is [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane.

Molecular Properties

Compound Name[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane
PubChem CID129235133
Molecular FormulaC5H13NP2
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane
SMILESCN1CC(P)[C@@H](P)C1
InChIInChI=1S/C5H13NP2/c1-6-2-4(7)5(8)3-6/h4-5H,2-3,7-8H2,1H3/t4-,5?/m0/s1
InChIKeyNTEALMKKBZCHPV-ROLXFIACSA-N
XLogP0.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.42
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)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane?
The IUPAC name of [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane (CID 129235133) is [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane.
What is the SMILES notation for [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane?
The canonical SMILES for [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane is CN1CC(P)[C@@H](P)C1.
What is the InChIKey of [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane?
The InChIKey is NTEALMKKBZCHPV-ROLXFIACSA-N. The full InChI is InChI=1S/C5H13NP2/c1-6-2-4(7)5(8)3-6/h4-5H,2-3,7-8H2,1H3/t4-,5?/m0/s1.
What are the key properties of [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane?
[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane has a molecular weight of 149.11 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane is sourced from PubChem (CID 129235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).