N-ethylidenehydroxylamine;N-methylidenehydroxylamine

C3H8N2O2 — CID 88686008

IUPACN-ethylidenehydroxylamine;N-methylidenehydroxylamine
SMILESC=NO.CC=NO
InChIInChI=1S/C2H5NO.CH3NO/c1-2-3-4;1-2-3/h2,4H,1H3;3H,1H2
InChIKeyGPJWNSGXNDJOOR-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.54
Rot. Bonds

About N-ethylidenehydroxylamine;N-methylidenehydroxylamine

N-ethylidenehydroxylamine;N-methylidenehydroxylamine (PubChem CID 88686008) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is N-ethylidenehydroxylamine;N-methylidenehydroxylamine.

Molecular Properties

Compound NameN-ethylidenehydroxylamine;N-methylidenehydroxylamine
PubChem CID88686008
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC NameN-ethylidenehydroxylamine;N-methylidenehydroxylamine
SMILESC=NO.CC=NO
InChIInChI=1S/C2H5NO.CH3NO/c1-2-3-4;1-2-3/h2,4H,1H3;3H,1H2
InChIKeyGPJWNSGXNDJOOR-UHFFFAOYSA-N
XLogP0.54
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

Aldoxime
CID 7863
Glyoxime
CID 135495951
Acetaldehyde oxime, (1E)-
CID 5324279
Pik-Off
CID 135409852
(Z)-acetaldehyde oxime
CID 5324280
aci-Nitroathan
CID 3082245
Ethylnitronate ylide
CID 6852034
Ethanedial, dioxime
CID 135431244
(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135580753
(NZ)-N-(1-deuterioethylidene)hydroxylamine
CID 134886249
Copper;azanide;ethylidene(dioxido)azanium;dihydrate
CID 134965461
Aci-nitroethane
CID 12674702

Frequently Asked Questions

What is the IUPAC name of N-ethylidenehydroxylamine;N-methylidenehydroxylamine?
The IUPAC name of N-ethylidenehydroxylamine;N-methylidenehydroxylamine (CID 88686008) is N-ethylidenehydroxylamine;N-methylidenehydroxylamine.
What is the SMILES notation for N-ethylidenehydroxylamine;N-methylidenehydroxylamine?
The canonical SMILES for N-ethylidenehydroxylamine;N-methylidenehydroxylamine is C=NO.CC=NO.
What is the InChIKey of N-ethylidenehydroxylamine;N-methylidenehydroxylamine?
The InChIKey is GPJWNSGXNDJOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH3NO/c1-2-3-4;1-2-3/h2,4H,1H3;3H,1H2.
What are the key properties of N-ethylidenehydroxylamine;N-methylidenehydroxylamine?
N-ethylidenehydroxylamine;N-methylidenehydroxylamine has a molecular weight of 104.11 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidenehydroxylamine;N-methylidenehydroxylamine is sourced from PubChem (CID 88686008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).