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

C9H20N4O3P2 — CID 144827241

IUPACN-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCCC(C2)N1P.O=CNOCCNP
InChIInChI=1S/C6H11N2OP.C3H9N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;6-3-4-7-2-1-5-8/h5H,1-4,10H2;3,5H,1-2,8H2,(H,4,6)
InChIKeyUHDXHTKMLHVLNK-UHFFFAOYSA-N
MW294.23 g/mol
LogP-0.28
Rot. Bonds5

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

N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 144827241) has the molecular formula C9H20N4O3P2 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound NameN-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID144827241
Molecular FormulaC9H20N4O3P2
Molecular Weight294.23 g/mol
Exact Mass294.10
IUPAC NameN-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCCC(C2)N1P.O=CNOCCNP
InChIInChI=1S/C6H11N2OP.C3H9N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;6-3-4-7-2-1-5-8/h5H,1-4,10H2;3,5H,1-2,8H2,(H,4,6)
InChIKeyUHDXHTKMLHVLNK-UHFFFAOYSA-N
XLogP-0.28
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.28
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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Related Compounds

N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827224
N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827228
N-[2-(dimethylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827229
ethane;N-hydroxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 144827234
N-(3-aminopropoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827236
ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 144827237
ethane;N-[2-[methyl(phosphanyl)amino]ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827240
N-[2-(phosphanylamino)propoxy]formamide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677082
N-[2-(4-phosphanyl-1,4-diazepan-1-yl)ethoxy]formamide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677088
carbanide;ethane;N-[2-[methyl(phosphanyl)amino]ethoxy]formamide;6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;praseodymium
CID 145677090
N-[2-(dimethylamino)ethoxy]formamide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677092
2-formamidooxyethyl(phosphanyl)azanide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;praseodymium
CID 145677093

Frequently Asked Questions

What is the IUPAC name of N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (CID 144827241) is N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N2CCCC(C2)N1P.O=CNOCCNP.
What is the InChIKey of N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is UHDXHTKMLHVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2OP.C3H9N2O2P/c9-6-7-3-1-2-5(4-7)8(6)10;6-3-4-7-2-1-5-8/h5H,1-4,10H2;3,5H,1-2,8H2,(H,4,6).
What are the key properties of N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 294.23 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 144827241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).