1-(1-phosphanylpyrrolidin-3-yl)ethanone

C6H12NOP — CID 20789465

IUPAC1-(1-phosphanylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CCN(P)C1
InChIInChI=1S/C6H12NOP/c1-5(8)6-2-3-7(9)4-6/h6H,2-4,9H2,1H3
InChIKeyJVPMHMIVEMOWJS-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.69
Rot. Bonds1

About 1-(1-phosphanylpyrrolidin-3-yl)ethanone

1-(1-phosphanylpyrrolidin-3-yl)ethanone (PubChem CID 20789465) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-(1-phosphanylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-phosphanylpyrrolidin-3-yl)ethanone
PubChem CID20789465
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-(1-phosphanylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CCN(P)C1
InChIInChI=1S/C6H12NOP/c1-5(8)6-2-3-7(9)4-6/h6H,2-4,9H2,1H3
InChIKeyJVPMHMIVEMOWJS-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phosphanylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-phosphanylpyrrolidin-3-yl)ethanone (CID 20789465) is 1-(1-phosphanylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-phosphanylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-phosphanylpyrrolidin-3-yl)ethanone is CC(=O)C1CCN(P)C1.
What is the InChIKey of 1-(1-phosphanylpyrrolidin-3-yl)ethanone?
The InChIKey is JVPMHMIVEMOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOP/c1-5(8)6-2-3-7(9)4-6/h6H,2-4,9H2,1H3.
What are the key properties of 1-(1-phosphanylpyrrolidin-3-yl)ethanone?
1-(1-phosphanylpyrrolidin-3-yl)ethanone has a molecular weight of 145.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phosphanylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 20789465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).