pyrrolidin-1-ylmethylphosphane

C5H12NP — CID 54155606

IUPACpyrrolidin-1-ylmethylphosphane
SMILESPCN1CCCC1
InChIInChI=1S/C5H12NP/c7-5-6-3-1-2-4-6/h1-5,7H2
InChIKeyOKVDZTJAQIBMFT-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.91
Rot. Bonds1

About pyrrolidin-1-ylmethylphosphane

pyrrolidin-1-ylmethylphosphane (PubChem CID 54155606) has the molecular formula C5H12NP and a molecular weight of 117.13 g/mol. Its IUPAC name is pyrrolidin-1-ylmethylphosphane.

Molecular Properties

Compound Namepyrrolidin-1-ylmethylphosphane
PubChem CID54155606
Molecular FormulaC5H12NP
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Namepyrrolidin-1-ylmethylphosphane
SMILESPCN1CCCC1
InChIInChI=1S/C5H12NP/c7-5-6-3-1-2-4-6/h1-5,7H2
InChIKeyOKVDZTJAQIBMFT-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.91
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 pyrrolidin-1-ylmethylphosphane?
The IUPAC name of pyrrolidin-1-ylmethylphosphane (CID 54155606) is pyrrolidin-1-ylmethylphosphane.
What is the SMILES notation for pyrrolidin-1-ylmethylphosphane?
The canonical SMILES for pyrrolidin-1-ylmethylphosphane is PCN1CCCC1.
What is the InChIKey of pyrrolidin-1-ylmethylphosphane?
The InChIKey is OKVDZTJAQIBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NP/c7-5-6-3-1-2-4-6/h1-5,7H2.
What are the key properties of pyrrolidin-1-ylmethylphosphane?
pyrrolidin-1-ylmethylphosphane has a molecular weight of 117.13 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylmethylphosphane is sourced from PubChem (CID 54155606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).