5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile

C7H9N2P — CID 143615652

IUPAC5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile
SMILESC#CC1CCC(C#N)N1P
InChIInChI=1S/C7H9N2P/c1-2-6-3-4-7(5-8)9(6)10/h1,6-7H,3-4,10H2
InChIKeySHUMBSMXNKCGAB-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.77
Rot. Bonds

About 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile

5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile (PubChem CID 143615652) has the molecular formula C7H9N2P and a molecular weight of 152.14 g/mol. Its IUPAC name is 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile
PubChem CID143615652
Molecular FormulaC7H9N2P
Molecular Weight152.14 g/mol
Exact Mass152.05
IUPAC Name5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile
SMILESC#CC1CCC(C#N)N1P
InChIInChI=1S/C7H9N2P/c1-2-6-3-4-7(5-8)9(6)10/h1,6-7H,3-4,10H2
InChIKeySHUMBSMXNKCGAB-UHFFFAOYSA-N
XLogP0.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile?
The IUPAC name of 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile (CID 143615652) is 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile?
The canonical SMILES for 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile is C#CC1CCC(C#N)N1P.
What is the InChIKey of 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile?
The InChIKey is SHUMBSMXNKCGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2P/c1-2-6-3-4-7(5-8)9(6)10/h1,6-7H,3-4,10H2.
What are the key properties of 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile?
5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile has a molecular weight of 152.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 143615652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).