2-amino-N-hydroxybut-2-enamide

C4H8N2O2 — CID 174640087

IUPAC2-amino-N-hydroxybut-2-enamide
SMILESCC=C(N)C(=O)NO
InChIInChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8/h2,8H,5H2,1H3,(H,6,7)
InChIKeyAPKSFGISVCDNAD-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.65
Rot. Bonds1

About 2-amino-N-hydroxybut-2-enamide

2-amino-N-hydroxybut-2-enamide (PubChem CID 174640087) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-amino-N-hydroxybut-2-enamide.

Molecular Properties

Compound Name2-amino-N-hydroxybut-2-enamide
PubChem CID174640087
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-amino-N-hydroxybut-2-enamide
SMILESCC=C(N)C(=O)NO
InChIInChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8/h2,8H,5H2,1H3,(H,6,7)
InChIKeyAPKSFGISVCDNAD-UHFFFAOYSA-N
XLogP-0.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.65
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'}

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Related Compounds

(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935
methyl (E)-2-aminobut-2-enoate
CID 19894054
(Z)-2-amino-N,N-dimethylbut-2-enamide
CID 166848992
hydroxyurea;dihydrochloride
CID 175264488
ethane;N'-hydroxyoctanediamide
CID 144754010
(2Z,4Z)-4-amino-3-hydroxyhexa-2,4-dienamide
CID 135140646
N'-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]propanediamide
CID 143768623
carbamodithioic acid;N-hydroxyacetamide
CID 174762397
3-amino-N-hydroxy-2-oxopropanamide
CID 139996893
but-2-en-2-ol;urea
CID 173334764
(E)-prop-1-en-1-ol;urea
CID 87083567
(2S)-N'-hydroxy-2-methylhexanediamide
CID 173132567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxybut-2-enamide?
The IUPAC name of 2-amino-N-hydroxybut-2-enamide (CID 174640087) is 2-amino-N-hydroxybut-2-enamide.
What is the SMILES notation for 2-amino-N-hydroxybut-2-enamide?
The canonical SMILES for 2-amino-N-hydroxybut-2-enamide is CC=C(N)C(=O)NO.
What is the InChIKey of 2-amino-N-hydroxybut-2-enamide?
The InChIKey is APKSFGISVCDNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8/h2,8H,5H2,1H3,(H,6,7).
What are the key properties of 2-amino-N-hydroxybut-2-enamide?
2-amino-N-hydroxybut-2-enamide has a molecular weight of 116.12 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxybut-2-enamide is sourced from PubChem (CID 174640087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).