2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile

C7H8N2O2 — CID 138548024

IUPAC2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile
SMILESCC1COC(C(C#N)C#N)O1
InChIInChI=1S/C7H8N2O2/c1-5-4-10-7(11-5)6(2-8)3-9/h5-7H,4H2,1H3
InChIKeyFHBGJJPPKLHHBL-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.41
Rot. Bonds1

About 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile

2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile (PubChem CID 138548024) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile
PubChem CID138548024
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile
SMILESCC1COC(C(C#N)C#N)O1
InChIInChI=1S/C7H8N2O2/c1-5-4-10-7(11-5)6(2-8)3-9/h5-7H,4H2,1H3
InChIKeyFHBGJJPPKLHHBL-UHFFFAOYSA-N
XLogP0.41
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile?
The IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile (CID 138548024) is 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile.
What is the SMILES notation for 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile?
The canonical SMILES for 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile is CC1COC(C(C#N)C#N)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile?
The InChIKey is FHBGJJPPKLHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-4-10-7(11-5)6(2-8)3-9/h5-7H,4H2,1H3.
What are the key properties of 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile?
2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile has a molecular weight of 152.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxolan-2-yl)propanedinitrile is sourced from PubChem (CID 138548024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).