(E)-N-hydroxypent-2-en-4-ynamide

C5H5NO2 — CID 23086819

IUPAC(E)-N-hydroxypent-2-en-4-ynamide
SMILESC#C/C=C/C(=O)NO
InChIInChI=1S/C5H5NO2/c1-2-3-4-5(7)6-8/h1,3-4,8H,(H,6,7)/b4-3+
InChIKeyYDYPGZCEYRDFGB-ONEGZZNKSA-N
MW111.10 g/mol
LogP-0.32
Rot. Bonds1

About (E)-N-hydroxypent-2-en-4-ynamide

(E)-N-hydroxypent-2-en-4-ynamide (PubChem CID 23086819) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is (E)-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-hydroxypent-2-en-4-ynamide
PubChem CID23086819
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name(E)-N-hydroxypent-2-en-4-ynamide
SMILESC#C/C=C/C(=O)NO
InChIInChI=1S/C5H5NO2/c1-2-3-4-5(7)6-8/h1,3-4,8H,(H,6,7)/b4-3+
InChIKeyYDYPGZCEYRDFGB-ONEGZZNKSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of (E)-N-hydroxypent-2-en-4-ynamide (CID 23086819) is (E)-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for (E)-N-hydroxypent-2-en-4-ynamide is C#C/C=C/C(=O)NO.
What is the InChIKey of (E)-N-hydroxypent-2-en-4-ynamide?
The InChIKey is YDYPGZCEYRDFGB-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-3-4-5(7)6-8/h1,3-4,8H,(H,6,7)/b4-3+.
What are the key properties of (E)-N-hydroxypent-2-en-4-ynamide?
(E)-N-hydroxypent-2-en-4-ynamide has a molecular weight of 111.10 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 23086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).