1-(4-phosphanylphenyl)-3-propylazetidin-2-one

C12H16NOP — CID 143276517

IUPAC1-(4-phosphanylphenyl)-3-propylazetidin-2-one
SMILESCCCC1CN(c2ccc(P)cc2)C1=O
InChIInChI=1S/C12H16NOP/c1-2-3-9-8-13(12(9)14)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,15H2,1H3
InChIKeyQZNNUNWSOGWRQX-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-phosphanylphenyl)-3-propylazetidin-2-one

1-(4-phosphanylphenyl)-3-propylazetidin-2-one (PubChem CID 143276517) has the molecular formula C12H16NOP and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(4-phosphanylphenyl)-3-propylazetidin-2-one.

Molecular Properties

Compound Name1-(4-phosphanylphenyl)-3-propylazetidin-2-one
PubChem CID143276517
Molecular FormulaC12H16NOP
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-(4-phosphanylphenyl)-3-propylazetidin-2-one
SMILESCCCC1CN(c2ccc(P)cc2)C1=O
InChIInChI=1S/C12H16NOP/c1-2-3-9-8-13(12(9)14)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,15H2,1H3
InChIKeyQZNNUNWSOGWRQX-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.95
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 1-(4-phosphanylphenyl)-3-propylazetidin-2-one?
The IUPAC name of 1-(4-phosphanylphenyl)-3-propylazetidin-2-one (CID 143276517) is 1-(4-phosphanylphenyl)-3-propylazetidin-2-one.
What is the SMILES notation for 1-(4-phosphanylphenyl)-3-propylazetidin-2-one?
The canonical SMILES for 1-(4-phosphanylphenyl)-3-propylazetidin-2-one is CCCC1CN(c2ccc(P)cc2)C1=O.
What is the InChIKey of 1-(4-phosphanylphenyl)-3-propylazetidin-2-one?
The InChIKey is QZNNUNWSOGWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NOP/c1-2-3-9-8-13(12(9)14)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,15H2,1H3.
What are the key properties of 1-(4-phosphanylphenyl)-3-propylazetidin-2-one?
1-(4-phosphanylphenyl)-3-propylazetidin-2-one has a molecular weight of 221.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phosphanylphenyl)-3-propylazetidin-2-one is sourced from PubChem (CID 143276517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).