formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

C7H13N3O3 — CID 144695972

IUPACformamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESNC=O.O=C1N2CCCC(C2)N1O
InChIInChI=1S/C6H10N2O2.CH3NO/c9-6-7-3-1-2-5(4-7)8(6)10;2-1-3/h5,10H,1-4H2;1H,(H2,2,3)
InChIKeyQYPXIMSUIKGKDW-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.62
Rot. Bonds

About formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 144695972) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Nameformamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID144695972
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Nameformamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESNC=O.O=C1N2CCCC(C2)N1O
InChIInChI=1S/C6H10N2O2.CH3NO/c9-6-7-3-1-2-5(4-7)8(6)10;2-1-3/h5,10H,1-4H2;1H,(H2,2,3)
InChIKeyQYPXIMSUIKGKDW-UHFFFAOYSA-N
XLogP-0.62
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346758
(2R,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346774
6-Hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 21942036
(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 89834360
6-Sulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 90073616
(2S, 5R)-6-sulfooxy-2-(aminomethyl)-7-oxo-1,6-diaza-bicyclo [3.2.1]octane
CID 91669185
(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 93499930
6-Sulfooxy-2-(amino methyl)-7-oxo-1,6-diazabicyclo[3.2.1]octane
CID 118011118
[(2R,5R)-2-(aminomethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 118011119
(2R)-6-hydroxy-2-iodo-1,6-diazabicyclo[3.2.1]octan-7-one
CID 118429238
[(2S)-2-(aminomethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 122525561
(2R,5S)-6-hydroxy-2-isocyano-1,6-diazabicyclo[3.2.1]octan-7-one
CID 123171387

Frequently Asked Questions

What is the IUPAC name of formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 144695972) is formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is NC=O.O=C1N2CCCC(C2)N1O.
What is the InChIKey of formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is QYPXIMSUIKGKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.CH3NO/c9-6-7-3-1-2-5(4-7)8(6)10;2-1-3/h5,10H,1-4H2;1H,(H2,2,3).
What are the key properties of formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 187.20 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 144695972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).