2-amino-2-cyano-N-prop-1-en-2-ylacetamide

C6H9N3O — CID 89226733

IUPAC2-amino-2-cyano-N-prop-1-en-2-ylacetamide
SMILESC=C(C)NC(=O)C(N)C#N
InChIInChI=1S/C6H9N3O/c1-4(2)9-6(10)5(8)3-7/h5H,1,8H2,2H3,(H,9,10)
InChIKeyAFTBLFVWXGRIND-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.51
Rot. Bonds2

About 2-amino-2-cyano-N-prop-1-en-2-ylacetamide

2-amino-2-cyano-N-prop-1-en-2-ylacetamide (PubChem CID 89226733) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-2-cyano-N-prop-1-en-2-ylacetamide.

Molecular Properties

Compound Name2-amino-2-cyano-N-prop-1-en-2-ylacetamide
PubChem CID89226733
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-2-cyano-N-prop-1-en-2-ylacetamide
SMILESC=C(C)NC(=O)C(N)C#N
InChIInChI=1S/C6H9N3O/c1-4(2)9-6(10)5(8)3-7/h5H,1,8H2,2H3,(H,9,10)
InChIKeyAFTBLFVWXGRIND-UHFFFAOYSA-N
XLogP-0.51
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyano-N-prop-1-en-2-ylacetamide?
The IUPAC name of 2-amino-2-cyano-N-prop-1-en-2-ylacetamide (CID 89226733) is 2-amino-2-cyano-N-prop-1-en-2-ylacetamide.
What is the SMILES notation for 2-amino-2-cyano-N-prop-1-en-2-ylacetamide?
The canonical SMILES for 2-amino-2-cyano-N-prop-1-en-2-ylacetamide is C=C(C)NC(=O)C(N)C#N.
What is the InChIKey of 2-amino-2-cyano-N-prop-1-en-2-ylacetamide?
The InChIKey is AFTBLFVWXGRIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(2)9-6(10)5(8)3-7/h5H,1,8H2,2H3,(H,9,10).
What are the key properties of 2-amino-2-cyano-N-prop-1-en-2-ylacetamide?
2-amino-2-cyano-N-prop-1-en-2-ylacetamide has a molecular weight of 139.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyano-N-prop-1-en-2-ylacetamide is sourced from PubChem (CID 89226733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).