(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile

C8H9NO — CID 11018923

IUPAC(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile
SMILESC=CC1CC/C(=C\C#N)O1
InChIInChI=1S/C8H9NO/c1-2-7-3-4-8(10-7)5-6-9/h2,5,7H,1,3-4H2/b8-5+
InChIKeyDTKPUFRQCIZWJE-VMPITWQZSA-N
MW135.17 g/mol
LogP1.76
Rot. Bonds1

About (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile

(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile (PubChem CID 11018923) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile
PubChem CID11018923
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile
SMILESC=CC1CC/C(=C\C#N)O1
InChIInChI=1S/C8H9NO/c1-2-7-3-4-8(10-7)5-6-9/h2,5,7H,1,3-4H2/b8-5+
InChIKeyDTKPUFRQCIZWJE-VMPITWQZSA-N
XLogP1.76
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(cyanomethylidene)oxan-3-yl]carbamic acid
CID 118484499
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
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buta-1,3-diene;carbon dioxide;(3E)-6-ethenyl-3-ethylideneoxan-2-one
CID 159136343
(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene
CID 101259581
2-cyclopropylideneacetonitrile
CID 18983445
2-ethenyl-5-ethylideneoxane
CID 175709330
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
(2S,5S)-5-ethenyloxolan-2-ol
CID 86339358
(2E)-2-(2-fluorocyclopentylidene)acetonitrile
CID 170905108
4-ethenyl-2-methylidene-1,3-dioxolane
CID 15728276
2-(4-tert-butylcyclohexylidene)acetonitrile
CID 10749813
(2E)-2-[(2S)-2-methylcyclohexylidene]acetonitrile
CID 98172997

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile?
The IUPAC name of (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile (CID 11018923) is (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile?
The canonical SMILES for (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile is C=CC1CC/C(=C\C#N)O1.
What is the InChIKey of (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile?
The InChIKey is DTKPUFRQCIZWJE-VMPITWQZSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-7-3-4-8(10-7)5-6-9/h2,5,7H,1,3-4H2/b8-5+.
What are the key properties of (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile?
(2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-ethenyloxolan-2-ylidene)acetonitrile is sourced from PubChem (CID 11018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).