2-cyano-N-cyclopropylacetamide

C6H8N2O — CID 2167884

IUPAC2-cyano-N-cyclopropylacetamide
SMILESN#CCC(=O)NC1CC1
InChIInChI=1S/C6H8N2O/c7-4-3-6(9)8-5-1-2-5/h5H,1-3H2,(H,8,9)
InChIKeyRDHCFMIWCSJGJM-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.18
Rot. Bonds2

About 2-cyano-N-cyclopropylacetamide

2-cyano-N-cyclopropylacetamide (PubChem CID 2167884) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-cyano-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropylacetamide
PubChem CID2167884
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-cyano-N-cyclopropylacetamide
SMILESN#CCC(=O)NC1CC1
InChIInChI=1S/C6H8N2O/c7-4-3-6(9)8-5-1-2-5/h5H,1-3H2,(H,8,9)
InChIKeyRDHCFMIWCSJGJM-UHFFFAOYSA-N
XLogP0.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropylacetamide?
The IUPAC name of 2-cyano-N-cyclopropylacetamide (CID 2167884) is 2-cyano-N-cyclopropylacetamide.
What is the SMILES notation for 2-cyano-N-cyclopropylacetamide?
The canonical SMILES for 2-cyano-N-cyclopropylacetamide is N#CCC(=O)NC1CC1.
What is the InChIKey of 2-cyano-N-cyclopropylacetamide?
The InChIKey is RDHCFMIWCSJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-4-3-6(9)8-5-1-2-5/h5H,1-3H2,(H,8,9).
What are the key properties of 2-cyano-N-cyclopropylacetamide?
2-cyano-N-cyclopropylacetamide has a molecular weight of 124.14 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropylacetamide is sourced from PubChem (CID 2167884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).