4-(cyanomethoxy)butanenitrile

C6H8N2O — CID 142730412

IUPAC4-(cyanomethoxy)butanenitrile
SMILESN#CCCCOCC#N
InChIInChI=1S/C6H8N2O/c7-3-1-2-5-9-6-4-8/h1-2,5-6H2
InChIKeyWGWBHBNHHOLTLO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.83
Rot. Bonds4

About 4-(cyanomethoxy)butanenitrile

4-(cyanomethoxy)butanenitrile (PubChem CID 142730412) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-(cyanomethoxy)butanenitrile.

Molecular Properties

Compound Name4-(cyanomethoxy)butanenitrile
PubChem CID142730412
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-(cyanomethoxy)butanenitrile
SMILESN#CCCCOCC#N
InChIInChI=1S/C6H8N2O/c7-3-1-2-5-9-6-4-8/h1-2,5-6H2
InChIKeyWGWBHBNHHOLTLO-UHFFFAOYSA-N
XLogP0.83
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxy)acetonitrile
CID 24695649
4-but-3-ynoxybutanenitrile
CID 134336232
2-(2-butoxyethoxy)acetonitrile
CID 29001467
4-pentoxybutanenitrile
CID 43275140
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
3-[1,3-bis(cyanomethoxy)propan-2-yloxy]propanenitrile
CID 166871037
4-(cyanomethoxy)butanamide
CID 54310026
4-hydroperoxybutanenitrile
CID 56625619
4-[2,3,4,5-tetrakis(3-cyanopropoxy)pentoxy]butanenitrile
CID 170011516
3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-(2-cyanoethoxy)propyl]amino]propoxy]propanenitrile
CID 11320859
2-(2-prop-2-ynoxyethoxy)acetonitrile
CID 131979201
3-[3,4-bis(2-cyanoethoxy)-1,5-bis(cyanomethoxy)pentan-2-yl]oxypropanenitrile
CID 170097064

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethoxy)butanenitrile?
The IUPAC name of 4-(cyanomethoxy)butanenitrile (CID 142730412) is 4-(cyanomethoxy)butanenitrile.
What is the SMILES notation for 4-(cyanomethoxy)butanenitrile?
The canonical SMILES for 4-(cyanomethoxy)butanenitrile is N#CCCCOCC#N.
What is the InChIKey of 4-(cyanomethoxy)butanenitrile?
The InChIKey is WGWBHBNHHOLTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-3-1-2-5-9-6-4-8/h1-2,5-6H2.
What are the key properties of 4-(cyanomethoxy)butanenitrile?
4-(cyanomethoxy)butanenitrile has a molecular weight of 124.14 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethoxy)butanenitrile is sourced from PubChem (CID 142730412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).