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

C5H7N3O3 — CID 6399401

IUPAC(E)-3-[[(2Z)-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-PKTZTGOHSA-N
MW157.13 g/mol
LogP-1.44
Rot. Bonds3

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

(E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide (PubChem CID 6399401) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide
PubChem CID6399401
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(E)-3-[[(2Z)-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-PKTZTGOHSA-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 (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The IUPAC name of (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide (CID 6399401) is (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide.
What is the SMILES notation for (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The canonical SMILES for (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide is NC(=O)/C=C/NC(=O)/C=N\O.
What is the InChIKey of (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
The InChIKey is QSQKMLSXKVSYMJ-PKTZTGOHSA-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 (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide?
(E)-3-[[(2Z)-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 (E)-3-[[(2Z)-2-hydroxyiminoacetyl]amino]prop-2-enamide is sourced from PubChem (CID 6399401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).