2-(furan-2-yl)oxane-3-carbonitrile

C10H11NO2 — CID 11052195

IUPAC2-(furan-2-yl)oxane-3-carbonitrile
SMILESN#CC1CCCOC1c1ccco1
InChIInChI=1S/C10H11NO2/c11-7-8-3-1-6-13-10(8)9-4-2-5-12-9/h2,4-5,8,10H,1,3,6H2
InChIKeyALGJOJVTJYPZLT-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.27
Rot. Bonds1

About 2-(furan-2-yl)oxane-3-carbonitrile

2-(furan-2-yl)oxane-3-carbonitrile (PubChem CID 11052195) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(furan-2-yl)oxane-3-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)oxane-3-carbonitrile
PubChem CID11052195
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(furan-2-yl)oxane-3-carbonitrile
SMILESN#CC1CCCOC1c1ccco1
InChIInChI=1S/C10H11NO2/c11-7-8-3-1-6-13-10(8)9-4-2-5-12-9/h2,4-5,8,10H,1,3,6H2
InChIKeyALGJOJVTJYPZLT-UHFFFAOYSA-N
XLogP2.27
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)oxane-3-carbonitrile
CID 115381432
2-quinolin-2-yloxane-3-carbonitrile
CID 79368028
2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile
CID 104823815
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxane-3-carbonitrile
CID 64509043
2-(furan-2-yl)-1,3-oxathiane
CID 134895251
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
(2S,3R)-2-(4-methylphenyl)oxolane-3-carbonitrile
CID 102375456
2-(furan-2-ylmethoxy)cycloheptane-1-carbonitrile
CID 43292120
2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
CID 79368491
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile
CID 11009391
(1R,2R,3S,4S)-3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 11961766

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)oxane-3-carbonitrile?
The IUPAC name of 2-(furan-2-yl)oxane-3-carbonitrile (CID 11052195) is 2-(furan-2-yl)oxane-3-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)oxane-3-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)oxane-3-carbonitrile is N#CC1CCCOC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)oxane-3-carbonitrile?
The InChIKey is ALGJOJVTJYPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-7-8-3-1-6-13-10(8)9-4-2-5-12-9/h2,4-5,8,10H,1,3,6H2.
What are the key properties of 2-(furan-2-yl)oxane-3-carbonitrile?
2-(furan-2-yl)oxane-3-carbonitrile has a molecular weight of 177.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)oxane-3-carbonitrile is sourced from PubChem (CID 11052195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).