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

C14H16N2O2 — CID 134348199

IUPAC2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile
SMILESC=CCC(C#N)(C#N)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-2-5-13(10-15,11-16)12-3-6-14(7-4-12)17-8-9-18-14/h2-3H,1,4-9H2
InChIKeyOOEJUDVWRJIYLY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds3

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

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile (PubChem CID 134348199) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile
PubChem CID134348199
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile
SMILESC=CCC(C#N)(C#N)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-2-5-13(10-15,11-16)12-3-6-14(7-4-12)17-8-9-18-14/h2-3H,1,4-9H2
InChIKeyOOEJUDVWRJIYLY-UHFFFAOYSA-N
XLogP2.45
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
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-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile (CID 134348199) is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile is C=CCC(C#N)(C#N)C1=CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile?
The InChIKey is OOEJUDVWRJIYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-5-13(10-15,11-16)12-3-6-14(7-4-12)17-8-9-18-14/h2-3H,1,4-9H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile?
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile has a molecular weight of 244.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile is sourced from PubChem (CID 134348199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).