N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide

C12H14N2O4 — CID 142235742

IUPACN-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide
SMILESC#CCc1cccc(C(=O)NO)c1.CC(=O)NO
InChIInChI=1S/C10H9NO2.C2H5NO2/c1-2-4-8-5-3-6-9(7-8)10(12)11-13;1-2(4)3-5/h1,3,5-7,13H,4H2,(H,11,12);5H,1H3,(H,3,4)
InChIKeyVYVVLBVEZHEQBV-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.49
Rot. Bonds2

About N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide

N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide (PubChem CID 142235742) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide
PubChem CID142235742
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide
SMILESC#CCc1cccc(C(=O)NO)c1.CC(=O)NO
InChIInChI=1S/C10H9NO2.C2H5NO2/c1-2-4-8-5-3-6-9(7-8)10(12)11-13;1-2(4)3-5/h1,3,5-7,13H,4H2,(H,11,12);5H,1H3,(H,3,4)
InChIKeyVYVVLBVEZHEQBV-UHFFFAOYSA-N
XLogP0.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-prop-2-ynylphenyl)ethanone
CID 45086131
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-(cyanomethyl)benzohydrazide
CID 68715824
tert-butyl-[[3-(hydroxycarbamoyl)phenyl]methyl]carbamic acid
CID 126574790
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
(E)-5-(3-prop-2-ynylphenyl)pent-3-en-2-one
CID 59027012
bis(1-ethyl-3-prop-2-ynylbenzene);bis(2-methylprop-1-ene)
CID 157132048
3-(benzenesulfonylmethyl)-N-but-3-ynylsulfonylbenzamide
CID 100741201
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
N-[3-(3-acetylphenyl)prop-1-ynyl]cyclopropanecarboxamide
CID 90983172
3-fluoro-N-hydroxybenzamide
CID 5082377

Frequently Asked Questions

What is the IUPAC name of N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide?
The IUPAC name of N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide (CID 142235742) is N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide.
What is the SMILES notation for N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide?
The canonical SMILES for N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide is C#CCc1cccc(C(=O)NO)c1.CC(=O)NO.
What is the InChIKey of N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide?
The InChIKey is VYVVLBVEZHEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H5NO2/c1-2-4-8-5-3-6-9(7-8)10(12)11-13;1-2(4)3-5/h1,3,5-7,13H,4H2,(H,11,12);5H,1H3,(H,3,4).
What are the key properties of N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide?
N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide has a molecular weight of 250.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide is sourced from PubChem (CID 142235742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).