(2E)-N-ethyl-2-hydroxyiminopropanamide

C5H10N2O2 — CID 132781486

IUPAC(2E)-N-ethyl-2-hydroxyiminopropanamide
SMILESCCNC(=O)/C(C)=N/O
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)4(2)7-9/h9H,3H2,1-2H3,(H,6,8)/b7-4+
InChIKeyKJWYLAVOHMOXOG-QPJJXVBHSA-N
MW130.15 g/mol
LogP-0.03
Rot. Bonds2

About (2E)-N-ethyl-2-hydroxyiminopropanamide

(2E)-N-ethyl-2-hydroxyiminopropanamide (PubChem CID 132781486) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (2E)-N-ethyl-2-hydroxyiminopropanamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-hydroxyiminopropanamide
PubChem CID132781486
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(2E)-N-ethyl-2-hydroxyiminopropanamide
SMILESCCNC(=O)/C(C)=N/O
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)4(2)7-9/h9H,3H2,1-2H3,(H,6,8)/b7-4+
InChIKeyKJWYLAVOHMOXOG-QPJJXVBHSA-N
XLogP-0.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-hydroxyiminopropanamide?
The IUPAC name of (2E)-N-ethyl-2-hydroxyiminopropanamide (CID 132781486) is (2E)-N-ethyl-2-hydroxyiminopropanamide.
What is the SMILES notation for (2E)-N-ethyl-2-hydroxyiminopropanamide?
The canonical SMILES for (2E)-N-ethyl-2-hydroxyiminopropanamide is CCNC(=O)/C(C)=N/O.
What is the InChIKey of (2E)-N-ethyl-2-hydroxyiminopropanamide?
The InChIKey is KJWYLAVOHMOXOG-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-6-5(8)4(2)7-9/h9H,3H2,1-2H3,(H,6,8)/b7-4+.
What are the key properties of (2E)-N-ethyl-2-hydroxyiminopropanamide?
(2E)-N-ethyl-2-hydroxyiminopropanamide has a molecular weight of 130.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-hydroxyiminopropanamide is sourced from PubChem (CID 132781486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).