2-cyano-N-(1-cyanocyclopropyl)acetamide

C7H7N3O — CID 131036144

IUPAC2-cyano-N-(1-cyanocyclopropyl)acetamide
SMILESN#CCC(=O)NC1(C#N)CC1
InChIInChI=1S/C7H7N3O/c8-4-1-6(11)10-7(5-9)2-3-7/h1-3H2,(H,10,11)
InChIKeyCJSLCNNZOZSUOG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.07
Rot. Bonds2

About 2-cyano-N-(1-cyanocyclopropyl)acetamide

2-cyano-N-(1-cyanocyclopropyl)acetamide (PubChem CID 131036144) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-cyano-N-(1-cyanocyclopropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyanocyclopropyl)acetamide
PubChem CID131036144
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-cyano-N-(1-cyanocyclopropyl)acetamide
SMILESN#CCC(=O)NC1(C#N)CC1
InChIInChI=1S/C7H7N3O/c8-4-1-6(11)10-7(5-9)2-3-7/h1-3H2,(H,10,11)
InChIKeyCJSLCNNZOZSUOG-UHFFFAOYSA-N
XLogP0.07
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-cyanoacetamide
CID 1515876
N-(1-cyanocyclopropyl)-2,2,2-trifluoroacetamide
CID 87336364
2-cyano-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 106213490
N-(2-cyanopropan-2-yl)propanamide
CID 22972527
N-(1-cyanocyclopropyl)-2-methylpropanamide
CID 59272660
N-(1-cyanocyclopropyl)butanamide
CID 69527816
N-(1-cyanocyclopropyl)acetamide
CID 89084339
N-(1-cyanocyclopropyl)-2-iodoacetamide
CID 89932409
N-(1-cyanocyclopropyl)propanamide
CID 89932410
N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
CID 90305562
N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen
CID 143042667
N-(1-cyanocyclopropyl)propanamide;ethane
CID 144399027

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyanocyclopropyl)acetamide?
The IUPAC name of 2-cyano-N-(1-cyanocyclopropyl)acetamide (CID 131036144) is 2-cyano-N-(1-cyanocyclopropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-cyanocyclopropyl)acetamide?
The canonical SMILES for 2-cyano-N-(1-cyanocyclopropyl)acetamide is N#CCC(=O)NC1(C#N)CC1.
What is the InChIKey of 2-cyano-N-(1-cyanocyclopropyl)acetamide?
The InChIKey is CJSLCNNZOZSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-1-6(11)10-7(5-9)2-3-7/h1-3H2,(H,10,11).
What are the key properties of 2-cyano-N-(1-cyanocyclopropyl)acetamide?
2-cyano-N-(1-cyanocyclopropyl)acetamide has a molecular weight of 149.15 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyanocyclopropyl)acetamide is sourced from PubChem (CID 131036144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).