N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C19H20NO3P — CID 134934636

IUPACN-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCC1(C)COP(=O)(NC=C2c3ccccc3-c3ccccc32)OC1
InChIInChI=1S/C19H20NO3P/c1-19(2)12-22-24(21,23-13-19)20-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyTVVMJOBBTKOVOU-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.83
Rot. Bonds2

About N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 134934636) has the molecular formula C19H20NO3P and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID134934636
Molecular FormulaC19H20NO3P
Molecular Weight341.35 g/mol
Exact Mass341.12
IUPAC NameN-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCC1(C)COP(=O)(NC=C2c3ccccc3-c3ccccc32)OC1
InChIInChI=1S/C19H20NO3P/c1-19(2)12-22-24(21,23-13-19)20-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyTVVMJOBBTKOVOU-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 134934636) is N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is CC1(C)COP(=O)(NC=C2c3ccccc3-c3ccccc32)OC1.
What is the InChIKey of N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is TVVMJOBBTKOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO3P/c1-19(2)12-22-24(21,23-13-19)20-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 341.35 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 134934636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).