2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide

C10H16N2O — CID 130956031

IUPAC2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide
SMILESCC(NC(=O)CC#N)C1CC1(C)C
InChIInChI=1S/C10H16N2O/c1-7(8-6-10(8,2)3)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyYKZXZULCQWKALW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds3

About 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide

2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide (PubChem CID 130956031) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide
PubChem CID130956031
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide
SMILESCC(NC(=O)CC#N)C1CC1(C)C
InChIInChI=1S/C10H16N2O/c1-7(8-6-10(8,2)3)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyYKZXZULCQWKALW-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide (CID 130956031) is 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide is CC(NC(=O)CC#N)C1CC1(C)C.
What is the InChIKey of 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide?
The InChIKey is YKZXZULCQWKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(8-6-10(8,2)3)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide?
2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide is sourced from PubChem (CID 130956031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).