2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile

C8H11NO2 — CID 117170053

IUPAC2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
SMILESN#CCC1COC(C2CC2)O1
InChIInChI=1S/C8H11NO2/c9-4-3-7-5-10-8(11-7)6-1-2-6/h6-8H,1-3,5H2
InChIKeyBOALGKIRZGKCCC-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile

2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile (PubChem CID 117170053) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
PubChem CID117170053
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
SMILESN#CCC1COC(C2CC2)O1
InChIInChI=1S/C8H11NO2/c9-4-3-7-5-10-8(11-7)6-1-2-6/h6-8H,1-3,5H2
InChIKeyBOALGKIRZGKCCC-UHFFFAOYSA-N
XLogP1.05
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile?
The IUPAC name of 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile (CID 117170053) is 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile is N#CCC1COC(C2CC2)O1.
What is the InChIKey of 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile?
The InChIKey is BOALGKIRZGKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-4-3-7-5-10-8(11-7)6-1-2-6/h6-8H,1-3,5H2.
What are the key properties of 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile?
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile has a molecular weight of 153.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile is sourced from PubChem (CID 117170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).