N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide

C6H12N2O2 — CID 19164934

IUPACN-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
SMILESCC(=O)NC(C)/C(C)=N\O
InChIInChI=1S/C6H12N2O2/c1-4(5(2)8-10)7-6(3)9/h4,10H,1-3H3,(H,7,9)/b8-5-
InChIKeyCLRLWKHTXSZYLK-YVMONPNESA-N
MW144.17 g/mol
LogP0.36
Rot. Bonds2

About N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide

N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide (PubChem CID 19164934) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
PubChem CID19164934
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
SMILESCC(=O)NC(C)/C(C)=N\O
InChIInChI=1S/C6H12N2O2/c1-4(5(2)8-10)7-6(3)9/h4,10H,1-3H3,(H,7,9)/b8-5-
InChIKeyCLRLWKHTXSZYLK-YVMONPNESA-N
XLogP0.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamidopropanoyl iodide
CID 126569176
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
methyl (2R)-2-acetamidopropanoate
CID 6951031
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 45119229
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
CID 6850066
ethyl (2S)-2-acetamidopropanoate
CID 11805045

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide?
The IUPAC name of N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide (CID 19164934) is N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide.
What is the SMILES notation for N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide?
The canonical SMILES for N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide is CC(=O)NC(C)/C(C)=N\O.
What is the InChIKey of N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide?
The InChIKey is CLRLWKHTXSZYLK-YVMONPNESA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(5(2)8-10)7-6(3)9/h4,10H,1-3H3,(H,7,9)/b8-5-.
What are the key properties of N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide?
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide has a molecular weight of 144.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide is sourced from PubChem (CID 19164934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).