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

C11H21N4O3P — CID 144827228

IUPACN-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCCC(C2)N1P.O=CNOCC1CCN1
InChIInChI=1S/C6H11N2OP.C5H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10;8-4-7-9-3-5-1-2-6-5/h5H,1-4,10H2;4-6H,1-3H2,(H,7,8)
InChIKeyQGNMVAQGGMCWCK-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.30
Rot. Bonds4

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

N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 144827228) has the molecular formula C11H21N4O3P and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound NameN-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID144827228
Molecular FormulaC11H21N4O3P
Molecular Weight288.29 g/mol
Exact Mass288.14
IUPAC NameN-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CCCC(C2)N1P.O=CNOCC1CCN1
InChIInChI=1S/C6H11N2OP.C5H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10;8-4-7-9-3-5-1-2-6-5/h5H,1-4,10H2;4-6H,1-3H2,(H,7,8)
InChIKeyQGNMVAQGGMCWCK-UHFFFAOYSA-N
XLogP-0.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.30
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-[2-(dimethylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827229
N-(3-aminopropoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827236
ethane;N-[2-[methyl(phosphanyl)amino]ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827240
N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827241
N-[[(2S)-azetidin-2-yl]methoxy]formamide;ethane;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677086
N-(azetidin-2-ylmethoxy)formamide;ethane;6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677098
N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677101
N-[2-(phosphanylamino)ethoxy]formamide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145677116

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one (CID 144827228) is N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N2CCCC(C2)N1P.O=CNOCC1CCN1.
What is the InChIKey of N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is QGNMVAQGGMCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2OP.C5H10N2O2/c9-6-7-3-1-2-5(4-7)8(6)10;8-4-7-9-3-5-1-2-6-5/h5H,1-4,10H2;4-6H,1-3H2,(H,7,8).
What are the key properties of N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one?
N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 288.29 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-ylmethoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 144827228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).