N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide

C5H7NO3 — CID 130713312

IUPACN-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide
SMILESCC(=O)NC(C=O)=CO
InChIInChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,7H,1H3,(H,6,9)
InChIKeySQDRPKFQIUJOBI-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.28
Rot. Bonds2

About N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide

N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide (PubChem CID 130713312) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide
PubChem CID130713312
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC NameN-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide
SMILESCC(=O)NC(C=O)=CO
InChIInChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,7H,1H3,(H,6,9)
InChIKeySQDRPKFQIUJOBI-UHFFFAOYSA-N
XLogP-0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide (CID 130713312) is N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide is CC(=O)NC(C=O)=CO.
What is the InChIKey of N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide?
The InChIKey is SQDRPKFQIUJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,7H,1H3,(H,6,9).
What are the key properties of N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide?
N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide has a molecular weight of 129.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 130713312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).