N,4-dioxopentanamide

C5H7NO3 — CID 87531074

IUPACN,4-dioxopentanamide
SMILESCC(=O)CCC(=O)N=O
InChIInChI=1S/C5H7NO3/c1-4(7)2-3-5(8)6-9/h2-3H2,1H3
InChIKeyGMXVDGYPBRYYBP-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.65
Rot. Bonds3

About N,4-dioxopentanamide

N,4-dioxopentanamide (PubChem CID 87531074) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is N,4-dioxopentanamide.

Molecular Properties

Compound NameN,4-dioxopentanamide
PubChem CID87531074
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC NameN,4-dioxopentanamide
SMILESCC(=O)CCC(=O)N=O
InChIInChI=1S/C5H7NO3/c1-4(7)2-3-5(8)6-9/h2-3H2,1H3
InChIKeyGMXVDGYPBRYYBP-UHFFFAOYSA-N
XLogP0.65
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dioxopentanamide?
The IUPAC name of N,4-dioxopentanamide (CID 87531074) is N,4-dioxopentanamide.
What is the SMILES notation for N,4-dioxopentanamide?
The canonical SMILES for N,4-dioxopentanamide is CC(=O)CCC(=O)N=O.
What is the InChIKey of N,4-dioxopentanamide?
The InChIKey is GMXVDGYPBRYYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(7)2-3-5(8)6-9/h2-3H2,1H3.
What are the key properties of N,4-dioxopentanamide?
N,4-dioxopentanamide has a molecular weight of 129.11 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dioxopentanamide is sourced from PubChem (CID 87531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).