(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide

C5H11N3O2 — CID 43155981

IUPAC(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide
SMILESCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C5H11N3O2/c1-2-7-5(9)3-4(6)8-10/h10H,2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyOSDYEFVTRMTMHL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.74
Rot. Bonds3

About (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide

(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide (PubChem CID 43155981) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide
PubChem CID43155981
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide
SMILESCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C5H11N3O2/c1-2-7-5(9)3-4(6)8-10/h10H,2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyOSDYEFVTRMTMHL-UHFFFAOYSA-N
XLogP-0.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide (CID 43155981) is (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide is CCNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide?
The InChIKey is OSDYEFVTRMTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-7-5(9)3-4(6)8-10/h10H,2-3H2,1H3,(H2,6,8)(H,7,9).
What are the key properties of (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide has a molecular weight of 145.16 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-ethyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 43155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).