2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile

C9H8N2O4 — CID 79368491

IUPAC2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
SMILESN#CC1CCOC1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N2O4/c10-5-6-3-4-14-9(6)7-1-2-8(15-7)11(12)13/h1-2,6,9H,3-4H2
InChIKeyDNOAHJDKDXHCHB-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.79
Rot. Bonds2

About 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile

2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile (PubChem CID 79368491) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
PubChem CID79368491
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
SMILESN#CC1CCOC1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H8N2O4/c10-5-6-3-4-14-9(6)7-1-2-8(15-7)11(12)13/h1-2,6,9H,3-4H2
InChIKeyDNOAHJDKDXHCHB-UHFFFAOYSA-N
XLogP1.79
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile?
The IUPAC name of 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile (CID 79368491) is 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile?
The canonical SMILES for 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile is N#CC1CCOC1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile?
The InChIKey is DNOAHJDKDXHCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c10-5-6-3-4-14-9(6)7-1-2-8(15-7)11(12)13/h1-2,6,9H,3-4H2.
What are the key properties of 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile?
2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile has a molecular weight of 208.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79368491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).