2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile

C10H11NO3 — CID 132508479

IUPAC2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile
SMILESN#CCc1ccc(COCC2CO2)o1
InChIInChI=1S/C10H11NO3/c11-4-3-8-1-2-9(14-8)5-12-6-10-7-13-10/h1-2,10H,3,5-7H2
InChIKeyCAMOAHCHRBVGFN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.26
Rot. Bonds5

About 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile

2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile (PubChem CID 132508479) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile
PubChem CID132508479
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile
SMILESN#CCc1ccc(COCC2CO2)o1
InChIInChI=1S/C10H11NO3/c11-4-3-8-1-2-9(14-8)5-12-6-10-7-13-10/h1-2,10H,3,5-7H2
InChIKeyCAMOAHCHRBVGFN-UHFFFAOYSA-N
XLogP1.26
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol
CID 177277169
3-(oxiran-2-ylmethoxy)-6-[[3-[3-[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methoxymethyl]oxiran-2-yl]oxiran-2-yl]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 174203558
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336
(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
CID 163302816
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane
CID 177315409
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146
iridium;2-(phenylmethoxymethyl)oxirane;pyridine
CID 87856687

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile?
The IUPAC name of 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile (CID 132508479) is 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile is N#CCc1ccc(COCC2CO2)o1.
What is the InChIKey of 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile?
The InChIKey is CAMOAHCHRBVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-4-3-8-1-2-9(14-8)5-12-6-10-7-13-10/h1-2,10H,3,5-7H2.
What are the key properties of 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile?
2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile has a molecular weight of 193.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile is sourced from PubChem (CID 132508479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).