2-cyano-N-(oxan-4-yl)acetamide

C8H12N2O2 — CID 43610224

IUPAC2-cyano-N-(oxan-4-yl)acetamide
SMILESN#CCC(=O)NC1CCOCC1
InChIInChI=1S/C8H12N2O2/c9-4-1-8(11)10-7-2-5-12-6-3-7/h7H,1-3,5-6H2,(H,10,11)
InChIKeyRWRRANYKAYGVEQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.20
Rot. Bonds2

About 2-cyano-N-(oxan-4-yl)acetamide

2-cyano-N-(oxan-4-yl)acetamide (PubChem CID 43610224) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-cyano-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(oxan-4-yl)acetamide
PubChem CID43610224
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-cyano-N-(oxan-4-yl)acetamide
SMILESN#CCC(=O)NC1CCOCC1
InChIInChI=1S/C8H12N2O2/c9-4-1-8(11)10-7-2-5-12-6-3-7/h7H,1-3,5-6H2,(H,10,11)
InChIKeyRWRRANYKAYGVEQ-UHFFFAOYSA-N
XLogP0.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-cyclopentylacetamide
CID 5093205
N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide
CID 123316361
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
N-(oxan-4-yl)but-3-enamide
CID 134356735
2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 7162022
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
CID 114009193

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(oxan-4-yl)acetamide (CID 43610224) is 2-cyano-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(oxan-4-yl)acetamide is N#CCC(=O)NC1CCOCC1.
What is the InChIKey of 2-cyano-N-(oxan-4-yl)acetamide?
The InChIKey is RWRRANYKAYGVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-4-1-8(11)10-7-2-5-12-6-3-7/h7H,1-3,5-6H2,(H,10,11).
What are the key properties of 2-cyano-N-(oxan-4-yl)acetamide?
2-cyano-N-(oxan-4-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 43610224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).