2-cyano-N-(oxetan-3-yl)propanamide

C7H10N2O2 — CID 163414148

IUPAC2-cyano-N-(oxetan-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1COC1
InChIInChI=1S/C7H10N2O2/c1-5(2-8)7(10)9-6-3-11-4-6/h5-6H,3-4H2,1H3,(H,9,10)
InChIKeyACYOGIQQLLHEEN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.34
Rot. Bonds2

About 2-cyano-N-(oxetan-3-yl)propanamide

2-cyano-N-(oxetan-3-yl)propanamide (PubChem CID 163414148) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-cyano-N-(oxetan-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(oxetan-3-yl)propanamide
PubChem CID163414148
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-cyano-N-(oxetan-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1COC1
InChIInChI=1S/C7H10N2O2/c1-5(2-8)7(10)9-6-3-11-4-6/h5-6H,3-4H2,1H3,(H,9,10)
InChIKeyACYOGIQQLLHEEN-UHFFFAOYSA-N
XLogP-0.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(oxetan-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(oxetan-3-yl)propanamide (CID 163414148) is 2-cyano-N-(oxetan-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(oxetan-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(oxetan-3-yl)propanamide is CC(C#N)C(=O)NC1COC1.
What is the InChIKey of 2-cyano-N-(oxetan-3-yl)propanamide?
The InChIKey is ACYOGIQQLLHEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2-8)7(10)9-6-3-11-4-6/h5-6H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-cyano-N-(oxetan-3-yl)propanamide?
2-cyano-N-(oxetan-3-yl)propanamide has a molecular weight of 154.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(oxetan-3-yl)propanamide is sourced from PubChem (CID 163414148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).