7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane

C16H16NO2P — CID 171118089

IUPAC7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane
SMILESCN1C2COP1OC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16NO2P/c1-17-15-12-18-20(17)19-16(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyITLCFZADVHERMC-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.52
Rot. Bonds2

About 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane

7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane (PubChem CID 171118089) has the molecular formula C16H16NO2P and a molecular weight of 285.28 g/mol. Its IUPAC name is 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane
PubChem CID171118089
Molecular FormulaC16H16NO2P
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane
SMILESCN1C2COP1OC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16NO2P/c1-17-15-12-18-20(17)19-16(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyITLCFZADVHERMC-UHFFFAOYSA-N
XLogP3.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane?
The IUPAC name of 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane (CID 171118089) is 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane?
The canonical SMILES for 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane is CN1C2COP1OC2(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane?
The InChIKey is ITLCFZADVHERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO2P/c1-17-15-12-18-20(17)19-16(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane?
7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane has a molecular weight of 285.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,3-diphenyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.1]heptane is sourced from PubChem (CID 171118089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).