2-cyano-N-(propylcarbamoyl)acetamide

C7H11N3O2 — CID 3016249

IUPAC2-cyano-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CC#N
InChIInChI=1S/C7H11N3O2/c1-2-5-9-7(12)10-6(11)3-4-8/h2-3,5H2,1H3,(H2,9,10,11,12)
InChIKeyIPYUASJGSWVYAY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds3

About 2-cyano-N-(propylcarbamoyl)acetamide

2-cyano-N-(propylcarbamoyl)acetamide (PubChem CID 3016249) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-cyano-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(propylcarbamoyl)acetamide
PubChem CID3016249
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-cyano-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CC#N
InChIInChI=1S/C7H11N3O2/c1-2-5-9-7(12)10-6(11)3-4-8/h2-3,5H2,1H3,(H2,9,10,11,12)
InChIKeyIPYUASJGSWVYAY-UHFFFAOYSA-N
XLogP0.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-cyano-N-(propylcarbamoyl)acetamide (CID 3016249) is 2-cyano-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-cyano-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-cyano-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(propylcarbamoyl)acetamide?
The InChIKey is IPYUASJGSWVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-5-9-7(12)10-6(11)3-4-8/h2-3,5H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-cyano-N-(propylcarbamoyl)acetamide?
2-cyano-N-(propylcarbamoyl)acetamide has a molecular weight of 169.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 3016249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).