1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide

C11H16NOP — CID 15877274

IUPAC1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide
SMILESCN1CCP(=O)(c2ccccc2)CC1
InChIInChI=1S/C11H16NOP/c1-12-7-9-14(13,10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyCCBRCIPIHMSBQL-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.62
Rot. Bonds1

About 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide

1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide (PubChem CID 15877274) has the molecular formula C11H16NOP and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide
PubChem CID15877274
Molecular FormulaC11H16NOP
Molecular Weight209.23 g/mol
Exact Mass209.10
IUPAC Name1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide
SMILESCN1CCP(=O)(c2ccccc2)CC1
InChIInChI=1S/C11H16NOP/c1-12-7-9-14(13,10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyCCBRCIPIHMSBQL-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.62
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-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide?
The IUPAC name of 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide (CID 15877274) is 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide.
What is the SMILES notation for 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide?
The canonical SMILES for 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide is CN1CCP(=O)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide?
The InChIKey is CCBRCIPIHMSBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NOP/c1-12-7-9-14(13,10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide?
1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide has a molecular weight of 209.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-1,4lambda5-azaphosphinane 4-oxide is sourced from PubChem (CID 15877274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).