phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane

C7H17N2P3 — CID 23532227

IUPACphosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane
SMILESPPN1CCCC2CN(P)CC21
InChIInChI=1S/C7H17N2P3/c10-8-4-6-2-1-3-9(12-11)7(6)5-8/h6-7,12H,1-5,10-11H2
InChIKeyJKXJHBFVXWXVJK-UHFFFAOYSA-N
MW222.15 g/mol
LogP1.56
Rot. Bonds1

About phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane

phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane (PubChem CID 23532227) has the molecular formula C7H17N2P3 and a molecular weight of 222.15 g/mol. Its IUPAC name is phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane.

Molecular Properties

Compound Namephosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane
PubChem CID23532227
Molecular FormulaC7H17N2P3
Molecular Weight222.15 g/mol
Exact Mass222.06
IUPAC Namephosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane
SMILESPPN1CCCC2CN(P)CC21
InChIInChI=1S/C7H17N2P3/c10-8-4-6-2-1-3-9(12-11)7(6)5-8/h6-7,12H,1-5,10-11H2
InChIKeyJKXJHBFVXWXVJK-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,7aS)-6-methanidyl-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ium
CID 59704451
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ylphosphane
CID 23532217
(4aS,7aS)-6-bromo-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89020740
(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane
CID 70500131
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)octan-1-amine
CID 81198327
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]phosphane
CID 59339920
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
6-azabicyclo[3.2.0]heptan-6-amine
CID 77464035
6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89346367
2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
CID 130734542
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
CID 147803814
CID 147803814

Frequently Asked Questions

What is the IUPAC name of phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane?
The IUPAC name of phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane (CID 23532227) is phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane.
What is the SMILES notation for phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane?
The canonical SMILES for phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane is PPN1CCCC2CN(P)CC21.
What is the InChIKey of phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane?
The InChIKey is JKXJHBFVXWXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2P3/c10-8-4-6-2-1-3-9(12-11)7(6)5-8/h6-7,12H,1-5,10-11H2.
What are the key properties of phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane?
phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane has a molecular weight of 222.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane is sourced from PubChem (CID 23532227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).