4-(cyanomethoxy)butanamide

C6H10N2O2 — CID 54310026

IUPAC4-(cyanomethoxy)butanamide
SMILESN#CCOCCCC(N)=O
InChIInChI=1S/C6H10N2O2/c7-3-5-10-4-1-2-6(8)9/h1-2,4-5H2,(H2,8,9)
InChIKeySKFLGZICFHPEDV-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.21
Rot. Bonds5

About 4-(cyanomethoxy)butanamide

4-(cyanomethoxy)butanamide (PubChem CID 54310026) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-(cyanomethoxy)butanamide.

Molecular Properties

Compound Name4-(cyanomethoxy)butanamide
PubChem CID54310026
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-(cyanomethoxy)butanamide
SMILESN#CCOCCCC(N)=O
InChIInChI=1S/C6H10N2O2/c7-3-5-10-4-1-2-6(8)9/h1-2,4-5H2,(H2,8,9)
InChIKeySKFLGZICFHPEDV-UHFFFAOYSA-N
XLogP-0.21
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-prop-2-ynoxyheptanamide
CID 91308975
4-(cyanomethoxy)butanenitrile
CID 142730412
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 178004606
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
3-[bis[2-(2-cyanoethoxy)ethyl]amino]propanamide
CID 71413889
cyanomethyl hydrogen carbonate
CID 18508970
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
10-cyanodecanamide
CID 87916786
4-silyloxybutanamide
CID 172753753
4-methoxybutanamide
CID 22414177
2-(2-butoxyethoxy)acetonitrile
CID 29001467
butanediamide;hydrobromide
CID 158484059

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethoxy)butanamide?
The IUPAC name of 4-(cyanomethoxy)butanamide (CID 54310026) is 4-(cyanomethoxy)butanamide.
What is the SMILES notation for 4-(cyanomethoxy)butanamide?
The canonical SMILES for 4-(cyanomethoxy)butanamide is N#CCOCCCC(N)=O.
What is the InChIKey of 4-(cyanomethoxy)butanamide?
The InChIKey is SKFLGZICFHPEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-3-5-10-4-1-2-6(8)9/h1-2,4-5H2,(H2,8,9).
What are the key properties of 4-(cyanomethoxy)butanamide?
4-(cyanomethoxy)butanamide has a molecular weight of 142.16 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethoxy)butanamide is sourced from PubChem (CID 54310026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).