5-cyano-3-oxopentanamide

C6H8N2O2 — CID 55289497

IUPAC5-cyano-3-oxopentanamide
SMILESN#CCCC(=O)CC(N)=O
InChIInChI=1S/C6H8N2O2/c7-3-1-2-5(9)4-6(8)10/h1-2,4H2,(H2,8,10)
InChIKeyREAQMXHIFZTMRX-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.27
Rot. Bonds4

About 5-cyano-3-oxopentanamide

5-cyano-3-oxopentanamide (PubChem CID 55289497) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-cyano-3-oxopentanamide.

Molecular Properties

Compound Name5-cyano-3-oxopentanamide
PubChem CID55289497
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-cyano-3-oxopentanamide
SMILESN#CCCC(=O)CC(N)=O
InChIInChI=1S/C6H8N2O2/c7-3-1-2-5(9)4-6(8)10/h1-2,4H2,(H2,8,10)
InChIKeyREAQMXHIFZTMRX-UHFFFAOYSA-N
XLogP-0.27
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-oxopentanamide?
The IUPAC name of 5-cyano-3-oxopentanamide (CID 55289497) is 5-cyano-3-oxopentanamide.
What is the SMILES notation for 5-cyano-3-oxopentanamide?
The canonical SMILES for 5-cyano-3-oxopentanamide is N#CCCC(=O)CC(N)=O.
What is the InChIKey of 5-cyano-3-oxopentanamide?
The InChIKey is REAQMXHIFZTMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-1-2-5(9)4-6(8)10/h1-2,4H2,(H2,8,10).
What are the key properties of 5-cyano-3-oxopentanamide?
5-cyano-3-oxopentanamide has a molecular weight of 140.14 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-oxopentanamide is sourced from PubChem (CID 55289497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).