methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate

C9H8N2O3 — CID 102359688

IUPACmethyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate
SMILESCOC(=O)C(C#N)C1=C(C#N)CCO1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)7(5-11)8-6(4-10)2-3-14-8/h7H,2-3H2,1H3
InChIKeyFVXIQMKGVVPZAX-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.50
Rot. Bonds2

About methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate

methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate (PubChem CID 102359688) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate
PubChem CID102359688
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate
SMILESCOC(=O)C(C#N)C1=C(C#N)CCO1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)7(5-11)8-6(4-10)2-3-14-8/h7H,2-3H2,1H3
InChIKeyFVXIQMKGVVPZAX-UHFFFAOYSA-N
XLogP0.50
TPSA83.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate?
The IUPAC name of methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate (CID 102359688) is methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate.
What is the SMILES notation for methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate?
The canonical SMILES for methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate is COC(=O)C(C#N)C1=C(C#N)CCO1.
What is the InChIKey of methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate?
The InChIKey is FVXIQMKGVVPZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-9(12)7(5-11)8-6(4-10)2-3-14-8/h7H,2-3H2,1H3.
What are the key properties of methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate?
methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate has a molecular weight of 192.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-2-(4-cyano-2,3-dihydrofuran-5-yl)acetate is sourced from PubChem (CID 102359688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).