(Z)-2-ethenyl-N'-hydroxybut-2-enediamide

C6H8N2O3 — CID 123923721

IUPAC(Z)-2-ethenyl-N'-hydroxybut-2-enediamide
SMILESC=C/C(=C/C(=O)NO)C(N)=O
InChIInChI=1S/C6H8N2O3/c1-2-4(6(7)10)3-5(9)8-11/h2-3,11H,1H2,(H2,7,10)(H,8,9)/b4-3-
InChIKeyXQUKEJDGBPIPGI-ARJAWSKDSA-N
MW156.14 g/mol
LogP-0.91
Rot. Bonds3

About (Z)-2-ethenyl-N'-hydroxybut-2-enediamide

(Z)-2-ethenyl-N'-hydroxybut-2-enediamide (PubChem CID 123923721) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (Z)-2-ethenyl-N'-hydroxybut-2-enediamide.

Molecular Properties

Compound Name(Z)-2-ethenyl-N'-hydroxybut-2-enediamide
PubChem CID123923721
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(Z)-2-ethenyl-N'-hydroxybut-2-enediamide
SMILESC=C/C(=C/C(=O)NO)C(N)=O
InChIInChI=1S/C6H8N2O3/c1-2-4(6(7)10)3-5(9)8-11/h2-3,11H,1H2,(H2,7,10)(H,8,9)/b4-3-
InChIKeyXQUKEJDGBPIPGI-ARJAWSKDSA-N
XLogP-0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienamide
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(2Z)-2-ethenylhexa-2,5-dienamide
CID 156540432
2-(diethylaminomethylidene)but-3-enamide
CID 54506794
CID 118976628
CID 118976628
prop-2-enamide;ruthenium
CID 90254548
prop-2-enamide iodide
CID 19796963
4-(hydroxyamino)-2-methyl-4-oxobut-2-enoic acid
CID 91349271
2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
4,4-dihydroxy-2-methylidene-4-(prop-2-enoylamino)butanamide
CID 87214748
2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
penta-1,4-dien-3-one;urea
CID 88518142

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-N'-hydroxybut-2-enediamide?
The IUPAC name of (Z)-2-ethenyl-N'-hydroxybut-2-enediamide (CID 123923721) is (Z)-2-ethenyl-N'-hydroxybut-2-enediamide.
What is the SMILES notation for (Z)-2-ethenyl-N'-hydroxybut-2-enediamide?
The canonical SMILES for (Z)-2-ethenyl-N'-hydroxybut-2-enediamide is C=C/C(=C/C(=O)NO)C(N)=O.
What is the InChIKey of (Z)-2-ethenyl-N'-hydroxybut-2-enediamide?
The InChIKey is XQUKEJDGBPIPGI-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-4(6(7)10)3-5(9)8-11/h2-3,11H,1H2,(H2,7,10)(H,8,9)/b4-3-.
What are the key properties of (Z)-2-ethenyl-N'-hydroxybut-2-enediamide?
(Z)-2-ethenyl-N'-hydroxybut-2-enediamide has a molecular weight of 156.14 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-N'-hydroxybut-2-enediamide is sourced from PubChem (CID 123923721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).