2-cyano-N-propan-2-ylacetamide

C6H10N2O — CID 735795

IUPAC2-cyano-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC#N
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyLOAHXFVORLJMML-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.42
Rot. Bonds2

About 2-cyano-N-propan-2-ylacetamide

2-cyano-N-propan-2-ylacetamide (PubChem CID 735795) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-cyano-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-cyano-N-propan-2-ylacetamide
PubChem CID735795
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-cyano-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC#N
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyLOAHXFVORLJMML-UHFFFAOYSA-N
XLogP0.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-propan-2-ylacetamide?
The IUPAC name of 2-cyano-N-propan-2-ylacetamide (CID 735795) is 2-cyano-N-propan-2-ylacetamide.
What is the SMILES notation for 2-cyano-N-propan-2-ylacetamide?
The canonical SMILES for 2-cyano-N-propan-2-ylacetamide is CC(C)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-propan-2-ylacetamide?
The InChIKey is LOAHXFVORLJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-cyano-N-propan-2-ylacetamide?
2-cyano-N-propan-2-ylacetamide has a molecular weight of 126.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propan-2-ylacetamide is sourced from PubChem (CID 735795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).