N,N-dihydroxy-3-phenylprop-2-enamide

C9H9NO3 — CID 141104282

IUPACN,N-dihydroxy-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(O)O
InChIInChI=1S/C9H9NO3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7,12-13H
InChIKeyHWAJOJFJJBWSIW-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.31
Rot. Bonds2

About N,N-dihydroxy-3-phenylprop-2-enamide

N,N-dihydroxy-3-phenylprop-2-enamide (PubChem CID 141104282) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N,N-dihydroxy-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN,N-dihydroxy-3-phenylprop-2-enamide
PubChem CID141104282
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN,N-dihydroxy-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(O)O
InChIInChI=1S/C9H9NO3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7,12-13H
InChIKeyHWAJOJFJJBWSIW-UHFFFAOYSA-N
XLogP1.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
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)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-3-phenylprop-2-enamide?
The IUPAC name of N,N-dihydroxy-3-phenylprop-2-enamide (CID 141104282) is N,N-dihydroxy-3-phenylprop-2-enamide.
What is the SMILES notation for N,N-dihydroxy-3-phenylprop-2-enamide?
The canonical SMILES for N,N-dihydroxy-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)N(O)O.
What is the InChIKey of N,N-dihydroxy-3-phenylprop-2-enamide?
The InChIKey is HWAJOJFJJBWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7,12-13H.
What are the key properties of N,N-dihydroxy-3-phenylprop-2-enamide?
N,N-dihydroxy-3-phenylprop-2-enamide has a molecular weight of 179.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-3-phenylprop-2-enamide is sourced from PubChem (CID 141104282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).