4-cycloundecyl-2H-azadiphosphole

C13H23NP2 — CID 91317252

IUPAC4-cycloundecyl-2H-azadiphosphole
SMILESc1n[pH]pc1C1CCCCCCCCCC1
InChIInChI=1S/C13H23NP2/c1-2-4-6-8-10-12(9-7-5-3-1)13-11-14-16-15-13/h11-12,16H,1-10H2
InChIKeyKHJHQAPKTXQXLZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP5.69
Rot. Bonds1

About 4-cycloundecyl-2H-azadiphosphole

4-cycloundecyl-2H-azadiphosphole (PubChem CID 91317252) has the molecular formula C13H23NP2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-cycloundecyl-2H-azadiphosphole.

Molecular Properties

Compound Name4-cycloundecyl-2H-azadiphosphole
PubChem CID91317252
Molecular FormulaC13H23NP2
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name4-cycloundecyl-2H-azadiphosphole
SMILESc1n[pH]pc1C1CCCCCCCCCC1
InChIInChI=1S/C13H23NP2/c1-2-4-6-8-10-12(9-7-5-3-1)13-11-14-16-15-13/h11-12,16H,1-10H2
InChIKeyKHJHQAPKTXQXLZ-UHFFFAOYSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.28
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cycloundecyl-2H-azadiphosphole?
The IUPAC name of 4-cycloundecyl-2H-azadiphosphole (CID 91317252) is 4-cycloundecyl-2H-azadiphosphole.
What is the SMILES notation for 4-cycloundecyl-2H-azadiphosphole?
The canonical SMILES for 4-cycloundecyl-2H-azadiphosphole is c1n[pH]pc1C1CCCCCCCCCC1.
What is the InChIKey of 4-cycloundecyl-2H-azadiphosphole?
The InChIKey is KHJHQAPKTXQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NP2/c1-2-4-6-8-10-12(9-7-5-3-1)13-11-14-16-15-13/h11-12,16H,1-10H2.
What are the key properties of 4-cycloundecyl-2H-azadiphosphole?
4-cycloundecyl-2H-azadiphosphole has a molecular weight of 255.28 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloundecyl-2H-azadiphosphole is sourced from PubChem (CID 91317252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).