N-hydroxypent-2-enamide

C5H9NO2 — CID 54330687

IUPACN-hydroxypent-2-enamide
SMILESCCC=CC(=O)NO
InChIInChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7)
InChIKeySYCVAEXBSCVWNH-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds2

About N-hydroxypent-2-enamide

N-hydroxypent-2-enamide (PubChem CID 54330687) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-hydroxypent-2-enamide.

Molecular Properties

Compound NameN-hydroxypent-2-enamide
PubChem CID54330687
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-hydroxypent-2-enamide
SMILESCCC=CC(=O)NO
InChIInChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7)
InChIKeySYCVAEXBSCVWNH-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
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 ≤ 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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxypent-2-enamide?
The IUPAC name of N-hydroxypent-2-enamide (CID 54330687) is N-hydroxypent-2-enamide.
What is the SMILES notation for N-hydroxypent-2-enamide?
The canonical SMILES for N-hydroxypent-2-enamide is CCC=CC(=O)NO.
What is the InChIKey of N-hydroxypent-2-enamide?
The InChIKey is SYCVAEXBSCVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-4-5(7)6-8/h3-4,8H,2H2,1H3,(H,6,7).
What are the key properties of N-hydroxypent-2-enamide?
N-hydroxypent-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxypent-2-enamide is sourced from PubChem (CID 54330687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).