N-[1-(2-cyanocyclopropyl)ethyl]acetamide

C8H12N2O — CID 123450586

IUPACN-[1-(2-cyanocyclopropyl)ethyl]acetamide
SMILESCC(=O)NC(C)C1CC1C#N
InChIInChI=1S/C8H12N2O/c1-5(10-6(2)11)8-3-7(8)4-9/h5,7-8H,3H2,1-2H3,(H,10,11)
InChIKeyDFHADNANBRENAH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.67
Rot. Bonds2

About N-[1-(2-cyanocyclopropyl)ethyl]acetamide

N-[1-(2-cyanocyclopropyl)ethyl]acetamide (PubChem CID 123450586) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[1-(2-cyanocyclopropyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-cyanocyclopropyl)ethyl]acetamide
PubChem CID123450586
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[1-(2-cyanocyclopropyl)ethyl]acetamide
SMILESCC(=O)NC(C)C1CC1C#N
InChIInChI=1S/C8H12N2O/c1-5(10-6(2)11)8-3-7(8)4-9/h5,7-8H,3H2,1-2H3,(H,10,11)
InChIKeyDFHADNANBRENAH-UHFFFAOYSA-N
XLogP0.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanocyclopropyl)ethyl]acetamide?
The IUPAC name of N-[1-(2-cyanocyclopropyl)ethyl]acetamide (CID 123450586) is N-[1-(2-cyanocyclopropyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(2-cyanocyclopropyl)ethyl]acetamide?
The canonical SMILES for N-[1-(2-cyanocyclopropyl)ethyl]acetamide is CC(=O)NC(C)C1CC1C#N.
What is the InChIKey of N-[1-(2-cyanocyclopropyl)ethyl]acetamide?
The InChIKey is DFHADNANBRENAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(10-6(2)11)8-3-7(8)4-9/h5,7-8H,3H2,1-2H3,(H,10,11).
What are the key properties of N-[1-(2-cyanocyclopropyl)ethyl]acetamide?
N-[1-(2-cyanocyclopropyl)ethyl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanocyclopropyl)ethyl]acetamide is sourced from PubChem (CID 123450586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).