(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide

C5H7N3O3 — CID 98507084

IUPAC(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide
SMILESNC(=O)/C=C\NC(=O)/C=N/O
InChIInChI=1S/C5H7N3O3/c6-4(9)1-2-7-5(10)3-8-11/h1-3,11H,(H2,6,9)(H,7,10)/b2-1-,8-3+
InChIKeyQSQKMLSXKVSYMJ-CKRIMZSVSA-N
MW157.13 g/mol
LogP-1.44
Rot. Bonds3

About (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide

(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide (PubChem CID 98507084) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide
PubChem CID98507084
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide
SMILESNC(=O)/C=C\NC(=O)/C=N/O
InChIInChI=1S/C5H7N3O3/c6-4(9)1-2-7-5(10)3-8-11/h1-3,11H,(H2,6,9)(H,7,10)/b2-1-,8-3+
InChIKeyQSQKMLSXKVSYMJ-CKRIMZSVSA-N
XLogP-1.44
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The IUPAC name of (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide (CID 98507084) is (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The canonical SMILES for (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide is NC(=O)/C=C\NC(=O)/C=N/O.
What is the InChIKey of (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The InChIKey is QSQKMLSXKVSYMJ-CKRIMZSVSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-4(9)1-2-7-5(10)3-8-11/h1-3,11H,(H2,6,9)(H,7,10)/b2-1-,8-3+.
What are the key properties of (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
(Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide has a molecular weight of 157.13 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide is sourced from PubChem (CID 98507084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).