(Z)-4-(hydroxyamino)pent-3-en-2-one

C5H9NO2 — CID 87477057

IUPAC(Z)-4-(hydroxyamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NO
InChIInChI=1S/C5H9NO2/c1-4(6-8)3-5(2)7/h3,6,8H,1-2H3/b4-3-
InChIKeyVHOTVSBTKZYHLW-ARJAWSKDSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds2

About (Z)-4-(hydroxyamino)pent-3-en-2-one

(Z)-4-(hydroxyamino)pent-3-en-2-one (PubChem CID 87477057) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z)-4-(hydroxyamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(hydroxyamino)pent-3-en-2-one
PubChem CID87477057
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z)-4-(hydroxyamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NO
InChIInChI=1S/C5H9NO2/c1-4(6-8)3-5(2)7/h3,6,8H,1-2H3/b4-3-
InChIKeyVHOTVSBTKZYHLW-ARJAWSKDSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-oxopent-2-en-2-yl]urea
CID 13320940
[(Z)-4-oxopent-2-en-2-yl]cyanamide
CID 13320942
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
CID 7707922
2-[[(Z)-4-oxopent-2-en-2-yl]amino]guanidine
CID 6420456
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
4-(4-hydroxybutylamino)pent-3-en-2-one
CID 71337879
CID 6826582
CID 6826582
CID 10892468
CID 10892468
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
bis((Z)-4-hydroxypent-3-en-2-one);nickel
CID 5359853
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(hydroxyamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(hydroxyamino)pent-3-en-2-one (CID 87477057) is (Z)-4-(hydroxyamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(hydroxyamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(hydroxyamino)pent-3-en-2-one is CC(=O)/C=C(/C)NO.
What is the InChIKey of (Z)-4-(hydroxyamino)pent-3-en-2-one?
The InChIKey is VHOTVSBTKZYHLW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(6-8)3-5(2)7/h3,6,8H,1-2H3/b4-3-.
What are the key properties of (Z)-4-(hydroxyamino)pent-3-en-2-one?
(Z)-4-(hydroxyamino)pent-3-en-2-one has a molecular weight of 115.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(hydroxyamino)pent-3-en-2-one is sourced from PubChem (CID 87477057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).