4-amino-4-cyano-N-oxopentanamide

C6H9N3O2 — CID 134513559

IUPAC4-amino-4-cyano-N-oxopentanamide
SMILESCC(N)(C#N)CCC(=O)N=O
InChIInChI=1S/C6H9N3O2/c1-6(8,4-7)3-2-5(10)9-11/h2-3,8H2,1H3
InChIKeyNQNIQBBANFFEEO-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.30
Rot. Bonds3

About 4-amino-4-cyano-N-oxopentanamide

4-amino-4-cyano-N-oxopentanamide (PubChem CID 134513559) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-amino-4-cyano-N-oxopentanamide.

Molecular Properties

Compound Name4-amino-4-cyano-N-oxopentanamide
PubChem CID134513559
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-amino-4-cyano-N-oxopentanamide
SMILESCC(N)(C#N)CCC(=O)N=O
InChIInChI=1S/C6H9N3O2/c1-6(8,4-7)3-2-5(10)9-11/h2-3,8H2,1H3
InChIKeyNQNIQBBANFFEEO-UHFFFAOYSA-N
XLogP0.30
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyano-N-oxopentanamide?
The IUPAC name of 4-amino-4-cyano-N-oxopentanamide (CID 134513559) is 4-amino-4-cyano-N-oxopentanamide.
What is the SMILES notation for 4-amino-4-cyano-N-oxopentanamide?
The canonical SMILES for 4-amino-4-cyano-N-oxopentanamide is CC(N)(C#N)CCC(=O)N=O.
What is the InChIKey of 4-amino-4-cyano-N-oxopentanamide?
The InChIKey is NQNIQBBANFFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(8,4-7)3-2-5(10)9-11/h2-3,8H2,1H3.
What are the key properties of 4-amino-4-cyano-N-oxopentanamide?
4-amino-4-cyano-N-oxopentanamide has a molecular weight of 155.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyano-N-oxopentanamide is sourced from PubChem (CID 134513559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).