N-(3-ethenoxypropylidene)hydroxylamine

C5H9NO2 — CID 157385181

IUPACN-(3-ethenoxypropylidene)hydroxylamine
SMILESC=COCCC=NO
InChIInChI=1S/C5H9NO2/c1-2-8-5-3-4-6-7/h2,4,7H,1,3,5H2
InChIKeyGVJAHZDAGXJWOG-UHFFFAOYSA-N
MW115.13 g/mol
LogP1.00
Rot. Bonds4

About N-(3-ethenoxypropylidene)hydroxylamine

N-(3-ethenoxypropylidene)hydroxylamine (PubChem CID 157385181) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(3-ethenoxypropylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethenoxypropylidene)hydroxylamine
PubChem CID157385181
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(3-ethenoxypropylidene)hydroxylamine
SMILESC=COCCC=NO
InChIInChI=1S/C5H9NO2/c1-2-8-5-3-4-6-7/h2,4,7H,1,3,5H2
InChIKeyGVJAHZDAGXJWOG-UHFFFAOYSA-N
XLogP1.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropylidene)hydroxylamine?
The IUPAC name of N-(3-ethenoxypropylidene)hydroxylamine (CID 157385181) is N-(3-ethenoxypropylidene)hydroxylamine.
What is the SMILES notation for N-(3-ethenoxypropylidene)hydroxylamine?
The canonical SMILES for N-(3-ethenoxypropylidene)hydroxylamine is C=COCCC=NO.
What is the InChIKey of N-(3-ethenoxypropylidene)hydroxylamine?
The InChIKey is GVJAHZDAGXJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-8-5-3-4-6-7/h2,4,7H,1,3,5H2.
What are the key properties of N-(3-ethenoxypropylidene)hydroxylamine?
N-(3-ethenoxypropylidene)hydroxylamine has a molecular weight of 115.13 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropylidene)hydroxylamine is sourced from PubChem (CID 157385181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).