N-(1-amino-1-oxopropan-2-yl)ethanimine oxide

C5H10N2O2 — CID 134986215

IUPACN-(1-amino-1-oxopropan-2-yl)ethanimine oxide
SMILESC/C=[N+](\[O-])C(C)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-7(9)4(2)5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3-
InChIKeyLQFBVBQKURFISO-CLTKARDFSA-N
MW130.15 g/mol
LogP-0.54
Rot. Bonds2

About N-(1-amino-1-oxopropan-2-yl)ethanimine oxide

N-(1-amino-1-oxopropan-2-yl)ethanimine oxide (PubChem CID 134986215) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)ethanimine oxide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)ethanimine oxide
PubChem CID134986215
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC NameN-(1-amino-1-oxopropan-2-yl)ethanimine oxide
SMILESC/C=[N+](\[O-])C(C)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-7(9)4(2)5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3-
InChIKeyLQFBVBQKURFISO-CLTKARDFSA-N
XLogP-0.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylpropan-1-imine oxide
CID 177452239
2,3-dimethylbutanediamide
CID 55281411
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
N-hydroxyethanimine oxide
CID 6852034
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
2-propan-2-ylbut-3-enamide
CID 147296462
(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)ethanimine oxide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)ethanimine oxide (CID 134986215) is N-(1-amino-1-oxopropan-2-yl)ethanimine oxide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)ethanimine oxide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)ethanimine oxide is C/C=[N+](\[O-])C(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)ethanimine oxide?
The InChIKey is LQFBVBQKURFISO-CLTKARDFSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-7(9)4(2)5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3-.
What are the key properties of N-(1-amino-1-oxopropan-2-yl)ethanimine oxide?
N-(1-amino-1-oxopropan-2-yl)ethanimine oxide has a molecular weight of 130.15 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)ethanimine oxide is sourced from PubChem (CID 134986215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).