5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole

C10H19N2P — CID 166852665

IUPAC5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole
SMILESCCC1CCCCC2=C(C1)PNN2
InChIInChI=1S/C10H19N2P/c1-2-8-5-3-4-6-9-10(7-8)13-12-11-9/h8,11-13H,2-7H2,1H3
InChIKeyNHVLERMNVGJSRT-UHFFFAOYSA-N
MW198.25 g/mol
LogP2.89
Rot. Bonds1

About 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole

5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole (PubChem CID 166852665) has the molecular formula C10H19N2P and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole.

Molecular Properties

Compound Name5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole
PubChem CID166852665
Molecular FormulaC10H19N2P
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Name5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole
SMILESCCC1CCCCC2=C(C1)PNN2
InChIInChI=1S/C10H19N2P/c1-2-8-5-3-4-6-9-10(7-8)13-12-11-9/h8,11-13H,2-7H2,1H3
InChIKeyNHVLERMNVGJSRT-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole?
The IUPAC name of 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole (CID 166852665) is 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole.
What is the SMILES notation for 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole?
The canonical SMILES for 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole is CCC1CCCCC2=C(C1)PNN2.
What is the InChIKey of 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole?
The InChIKey is NHVLERMNVGJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2P/c1-2-8-5-3-4-6-9-10(7-8)13-12-11-9/h8,11-13H,2-7H2,1H3.
What are the key properties of 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole?
5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole has a molecular weight of 198.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[d]diazaphosphole is sourced from PubChem (CID 166852665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).