(Z)-2-formamido-3-hydroxybut-2-enamide

C5H8N2O3 — CID 131854326

IUPAC(Z)-2-formamido-3-hydroxybut-2-enamide
SMILESC/C(O)=C(/NC=O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(9)4(5(6)10)7-2-8/h2,9H,1H3,(H2,6,10)(H,7,8)/b4-3-
InChIKeyOVPQQJPXQQGPDE-ARJAWSKDSA-N
MW144.13 g/mol
LogP-0.99
Rot. Bonds3

About (Z)-2-formamido-3-hydroxybut-2-enamide

(Z)-2-formamido-3-hydroxybut-2-enamide (PubChem CID 131854326) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (Z)-2-formamido-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-2-formamido-3-hydroxybut-2-enamide
PubChem CID131854326
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(Z)-2-formamido-3-hydroxybut-2-enamide
SMILESC/C(O)=C(/NC=O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(9)4(5(6)10)7-2-8/h2,9H,1H3,(H2,6,10)(H,7,8)/b4-3-
InChIKeyOVPQQJPXQQGPDE-ARJAWSKDSA-N
XLogP-0.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-formamido-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-2-formamido-3-hydroxybut-2-enamide (CID 131854326) is (Z)-2-formamido-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-2-formamido-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-2-formamido-3-hydroxybut-2-enamide is C/C(O)=C(/NC=O)C(N)=O.
What is the InChIKey of (Z)-2-formamido-3-hydroxybut-2-enamide?
The InChIKey is OVPQQJPXQQGPDE-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(9)4(5(6)10)7-2-8/h2,9H,1H3,(H2,6,10)(H,7,8)/b4-3-.
What are the key properties of (Z)-2-formamido-3-hydroxybut-2-enamide?
(Z)-2-formamido-3-hydroxybut-2-enamide has a molecular weight of 144.13 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-formamido-3-hydroxybut-2-enamide is sourced from PubChem (CID 131854326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).