N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one

C10H22N4O3P2 — CID 144827224

IUPACN-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC(CONC=O)NP.O=C1N2CCCC(C2)N1P
InChIInChI=1S/C6H11N2OP.C4H11N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;1-4(6-9)2-8-5-3-7/h5H,1-4,10H2;3-4,6H,2,9H2,1H3,(H,5,7)
InChIKeyPELMUCQVZBDYGI-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.11
Rot. Bonds5

About N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one

N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 144827224) has the molecular formula C10H22N4O3P2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound NameN-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID144827224
Molecular FormulaC10H22N4O3P2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC NameN-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC(CONC=O)NP.O=C1N2CCCC(C2)N1P
InChIInChI=1S/C6H11N2OP.C4H11N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;1-4(6-9)2-8-5-3-7/h5H,1-4,10H2;3-4,6H,2,9H2,1H3,(H,5,7)
InChIKeyPELMUCQVZBDYGI-UHFFFAOYSA-N
XLogP0.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (CID 144827224) is N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is CC(CONC=O)NP.O=C1N2CCCC(C2)N1P.
What is the InChIKey of N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is PELMUCQVZBDYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2OP.C4H11N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;1-4(6-9)2-8-5-3-7/h5H,1-4,10H2;3-4,6H,2,9H2,1H3,(H,5,7).
What are the key properties of N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 308.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 144827224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).