3-(hydroxyamino)oxypropanenitrile

C3H6N2O2 — CID 156648374

IUPAC3-(hydroxyamino)oxypropanenitrile
SMILESN#CCCONO
InChIInChI=1S/C3H6N2O2/c4-2-1-3-7-5-6/h5-6H,1,3H2
InChIKeyLTKBCJCOWBMGFT-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.19
Rot. Bonds3

About 3-(hydroxyamino)oxypropanenitrile

3-(hydroxyamino)oxypropanenitrile (PubChem CID 156648374) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 3-(hydroxyamino)oxypropanenitrile.

Molecular Properties

Compound Name3-(hydroxyamino)oxypropanenitrile
PubChem CID156648374
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name3-(hydroxyamino)oxypropanenitrile
SMILESN#CCCONO
InChIInChI=1S/C3H6N2O2/c4-2-1-3-7-5-6/h5-6H,1,3H2
InChIKeyLTKBCJCOWBMGFT-UHFFFAOYSA-N
XLogP-0.19
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
CID 170276517
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
3-methoxypropanenitrile
CID 161061289
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-phosphanyloxypropanenitrile;rhenium
CID 153394986
ethane;3-methoxypropanenitrile
CID 142187534
2-cyanoethoxy-hydroxy-dioxidophosphanium
CID 86622672
azane;2-cyanoethyl hydrogen carbonate
CID 174589632
4-hydroperoxybutanenitrile
CID 56625619
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-methylperoxypropanenitrile
CID 22946466

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)oxypropanenitrile?
The IUPAC name of 3-(hydroxyamino)oxypropanenitrile (CID 156648374) is 3-(hydroxyamino)oxypropanenitrile.
What is the SMILES notation for 3-(hydroxyamino)oxypropanenitrile?
The canonical SMILES for 3-(hydroxyamino)oxypropanenitrile is N#CCCONO.
What is the InChIKey of 3-(hydroxyamino)oxypropanenitrile?
The InChIKey is LTKBCJCOWBMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2-1-3-7-5-6/h5-6H,1,3H2.
What are the key properties of 3-(hydroxyamino)oxypropanenitrile?
3-(hydroxyamino)oxypropanenitrile has a molecular weight of 102.09 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)oxypropanenitrile is sourced from PubChem (CID 156648374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).