2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile

C17H20N2O2 — CID 134348154

IUPAC2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile
SMILESC=CCC1CC2(CC=C1C(C#N)(C#N)CC=C)OCCO2
InChIInChI=1S/C17H20N2O2/c1-3-5-14-11-17(20-9-10-21-17)8-6-15(14)16(12-18,13-19)7-4-2/h3-4,6,14H,1-2,5,7-11H2
InChIKeyTZNRVEPSXJAWJJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds5

About 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile

2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile (PubChem CID 134348154) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile.

Molecular Properties

Compound Name2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile
PubChem CID134348154
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile
SMILESC=CCC1CC2(CC=C1C(C#N)(C#N)CC=C)OCCO2
InChIInChI=1S/C17H20N2O2/c1-3-5-14-11-17(20-9-10-21-17)8-6-15(14)16(12-18,13-19)7-4-2/h3-4,6,14H,1-2,5,7-11H2
InChIKeyTZNRVEPSXJAWJJ-UHFFFAOYSA-N
XLogP3.25
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile?
The IUPAC name of 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile (CID 134348154) is 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile.
What is the SMILES notation for 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile?
The canonical SMILES for 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile is C=CCC1CC2(CC=C1C(C#N)(C#N)CC=C)OCCO2.
What is the InChIKey of 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile?
The InChIKey is TZNRVEPSXJAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-5-14-11-17(20-9-10-21-17)8-6-15(14)16(12-18,13-19)7-4-2/h3-4,6,14H,1-2,5,7-11H2.
What are the key properties of 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile?
2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile has a molecular weight of 284.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile is sourced from PubChem (CID 134348154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).