3-pyrrolidin-1-ylprop-1-ynylphosphane

C7H12NP — CID 142317768

IUPAC3-pyrrolidin-1-ylprop-1-ynylphosphane
SMILESPC#CCN1CCCC1
InChIInChI=1S/C7H12NP/c9-7-3-6-8-4-1-2-5-8/h1-2,4-6,9H2
InChIKeyVSPSZMDRQCGFTI-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.92
Rot. Bonds1

About 3-pyrrolidin-1-ylprop-1-ynylphosphane

3-pyrrolidin-1-ylprop-1-ynylphosphane (PubChem CID 142317768) has the molecular formula C7H12NP and a molecular weight of 141.15 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylprop-1-ynylphosphane.

Molecular Properties

Compound Name3-pyrrolidin-1-ylprop-1-ynylphosphane
PubChem CID142317768
Molecular FormulaC7H12NP
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name3-pyrrolidin-1-ylprop-1-ynylphosphane
SMILESPC#CCN1CCCC1
InChIInChI=1S/C7H12NP/c9-7-3-6-8-4-1-2-5-8/h1-2,4-6,9H2
InChIKeyVSPSZMDRQCGFTI-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylprop-1-ynylphosphane?
The IUPAC name of 3-pyrrolidin-1-ylprop-1-ynylphosphane (CID 142317768) is 3-pyrrolidin-1-ylprop-1-ynylphosphane.
What is the SMILES notation for 3-pyrrolidin-1-ylprop-1-ynylphosphane?
The canonical SMILES for 3-pyrrolidin-1-ylprop-1-ynylphosphane is PC#CCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylprop-1-ynylphosphane?
The InChIKey is VSPSZMDRQCGFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NP/c9-7-3-6-8-4-1-2-5-8/h1-2,4-6,9H2.
What are the key properties of 3-pyrrolidin-1-ylprop-1-ynylphosphane?
3-pyrrolidin-1-ylprop-1-ynylphosphane has a molecular weight of 141.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylprop-1-ynylphosphane is sourced from PubChem (CID 142317768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).