1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide

C15H20NOP — CID 13030119

IUPAC1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESO=P1(c2ccccc2)CC=C(N2CCCC2)CC1
InChIInChI=1S/C15H20NOP/c17-18(15-6-2-1-3-7-15)12-8-14(9-13-18)16-10-4-5-11-16/h1-3,6-8H,4-5,9-13H2
InChIKeyGKFDXEYBUIZOGO-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds2

About 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide

1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide (PubChem CID 13030119) has the molecular formula C15H20NOP and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide.

Molecular Properties

Compound Name1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
PubChem CID13030119
Molecular FormulaC15H20NOP
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESO=P1(c2ccccc2)CC=C(N2CCCC2)CC1
InChIInChI=1S/C15H20NOP/c17-18(15-6-2-1-3-7-15)12-8-14(9-13-18)16-10-4-5-11-16/h1-3,6-8H,4-5,9-13H2
InChIKeyGKFDXEYBUIZOGO-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
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-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The IUPAC name of 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide (CID 13030119) is 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide.
What is the SMILES notation for 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The canonical SMILES for 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide is O=P1(c2ccccc2)CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The InChIKey is GKFDXEYBUIZOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NOP/c17-18(15-6-2-1-3-7-15)12-8-14(9-13-18)16-10-4-5-11-16/h1-3,6-8H,4-5,9-13H2.
What are the key properties of 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide has a molecular weight of 261.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide is sourced from PubChem (CID 13030119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).