(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide

C5H11N3O2 — CID 55286814

IUPAC(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)/C=N/O
InChIInChI=1S/C5H11N3O2/c1-6-2-3-7-5(9)4-8-10/h4,6,10H,2-3H2,1H3,(H,7,9)/b8-4+
InChIKeyLDRDLWJPBKFBIH-XBXARRHUSA-N
MW145.16 g/mol
LogP-1.22
Rot. Bonds4

About (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide

(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide (PubChem CID 55286814) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide
PubChem CID55286814
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)/C=N/O
InChIInChI=1S/C5H11N3O2/c1-6-2-3-7-5(9)4-8-10/h4,6,10H,2-3H2,1H3,(H,7,9)/b8-4+
InChIKeyLDRDLWJPBKFBIH-XBXARRHUSA-N
XLogP-1.22
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide (CID 55286814) is (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is LDRDLWJPBKFBIH-XBXARRHUSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-6-2-3-7-5(9)4-8-10/h4,6,10H,2-3H2,1H3,(H,7,9)/b8-4+.
What are the key properties of (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide?
(2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 145.16 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 55286814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).