N-hydroxybut-1-en-2-amine oxide

C4H9NO2 — CID 163830558

IUPACN-hydroxybut-1-en-2-amine oxide
SMILESC=C(CC)[NH+]([O-])O
InChIInChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h5-6H,2-3H2,1H3
InChIKeyODHKEWAXCGESDK-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.32
Rot. Bonds2

About N-hydroxybut-1-en-2-amine oxide

N-hydroxybut-1-en-2-amine oxide (PubChem CID 163830558) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-hydroxybut-1-en-2-amine oxide.

Molecular Properties

Compound NameN-hydroxybut-1-en-2-amine oxide
PubChem CID163830558
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-hydroxybut-1-en-2-amine oxide
SMILESC=C(CC)[NH+]([O-])O
InChIInChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h5-6H,2-3H2,1H3
InChIKeyODHKEWAXCGESDK-UHFFFAOYSA-N
XLogP-0.32
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodobut-1-ene
CID 14042947
ethanol;palladium
CID 87368677
ethanol;iodomethane
CID 159089144
methane;bis(2-methylbut-1-ene)
CID 160529780
3-methylidenepentane;hydrate
CID 162329688
1,1-difluoroethene;ethanol
CID 19891756
2-methylidenebutanoate;trimethylazanium;chloride
CID 23504332
magnesium;ethanol;methanolate
CID 159613085
N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide
CID 163913933
bis(2-methylprop-1-ene);propane
CID 159493997
propanoic acid;prop-1-en-2-olate
CID 172732515
N-hydroxybuta-2,3-dien-2-amine oxide
CID 163570462

Frequently Asked Questions

What is the IUPAC name of N-hydroxybut-1-en-2-amine oxide?
The IUPAC name of N-hydroxybut-1-en-2-amine oxide (CID 163830558) is N-hydroxybut-1-en-2-amine oxide.
What is the SMILES notation for N-hydroxybut-1-en-2-amine oxide?
The canonical SMILES for N-hydroxybut-1-en-2-amine oxide is C=C(CC)[NH+]([O-])O.
What is the InChIKey of N-hydroxybut-1-en-2-amine oxide?
The InChIKey is ODHKEWAXCGESDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h5-6H,2-3H2,1H3.
What are the key properties of N-hydroxybut-1-en-2-amine oxide?
N-hydroxybut-1-en-2-amine oxide has a molecular weight of 103.12 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybut-1-en-2-amine oxide is sourced from PubChem (CID 163830558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).