N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide

C9H14N2O2 — CID 131065360

IUPACN-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide
SMILESCOCC(=O)NC1(C#N)CC1(C)C
InChIInChI=1S/C9H14N2O2/c1-8(2)5-9(8,6-10)11-7(12)4-13-3/h4-5H2,1-3H3,(H,11,12)
InChIKeyBYIOCLXZLCFRNK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds3

About N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide

N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide (PubChem CID 131065360) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide
PubChem CID131065360
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide
SMILESCOCC(=O)NC1(C#N)CC1(C)C
InChIInChI=1S/C9H14N2O2/c1-8(2)5-9(8,6-10)11-7(12)4-13-3/h4-5H2,1-3H3,(H,11,12)
InChIKeyBYIOCLXZLCFRNK-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide?
The IUPAC name of N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide (CID 131065360) is N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide is COCC(=O)NC1(C#N)CC1(C)C.
What is the InChIKey of N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide?
The InChIKey is BYIOCLXZLCFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(2)5-9(8,6-10)11-7(12)4-13-3/h4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide?
N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide has a molecular weight of 182.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylcyclopropyl)-2-methoxyacetamide is sourced from PubChem (CID 131065360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).