(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile

C7H8N2O2 — CID 99864625

IUPAC(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile
SMILESN#CC[C@H](C#N)C1OCCO1
InChIInChI=1S/C7H8N2O2/c8-2-1-6(5-9)7-10-3-4-11-7/h6-7H,1,3-4H2/t6-/m1/s1
InChIKeyXENXHEKLLNFVBL-ZCFIWIBFSA-N
MW152.15 g/mol
LogP0.41
Rot. Bonds2

About (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile

(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile (PubChem CID 99864625) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile
PubChem CID99864625
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile
SMILESN#CC[C@H](C#N)C1OCCO1
InChIInChI=1S/C7H8N2O2/c8-2-1-6(5-9)7-10-3-4-11-7/h6-7H,1,3-4H2/t6-/m1/s1
InChIKeyXENXHEKLLNFVBL-ZCFIWIBFSA-N
XLogP0.41
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12662860
CID 12662860
CID 11320982
CID 11320982
CID 78098
CID 78098
CID 14684029
CID 14684029
CID 60201423
CID 60201423
CID 161709669
CID 161709669
CID 20320689
CID 20320689
CID 89708949
CID 89708949
CID 89708956
CID 89708956
CID 138548024
CID 138548024
CID 140474799
CID 140474799
CID 10654458
CID 10654458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile?
The IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile (CID 99864625) is (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile.
What is the SMILES notation for (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile?
The canonical SMILES for (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile is N#CC[C@H](C#N)C1OCCO1.
What is the InChIKey of (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile?
The InChIKey is XENXHEKLLNFVBL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-2-1-6(5-9)7-10-3-4-11-7/h6-7H,1,3-4H2/t6-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile?
(2R)-2-(1,3-dioxolan-2-yl)butanedinitrile has a molecular weight of 152.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxolan-2-yl)butanedinitrile is sourced from PubChem (CID 99864625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).