2-(1-phenylcyclopropanecarbonyl)propanedinitrile

C13H10N2O — CID 79168773

IUPAC2-(1-phenylcyclopropanecarbonyl)propanedinitrile
SMILESN#CC(C#N)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H10N2O/c14-8-10(9-15)12(16)13(6-7-13)11-4-2-1-3-5-11/h1-5,10H,6-7H2
InChIKeyCFYPIDGLGZZJOJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds3

About 2-(1-phenylcyclopropanecarbonyl)propanedinitrile

2-(1-phenylcyclopropanecarbonyl)propanedinitrile (PubChem CID 79168773) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1-phenylcyclopropanecarbonyl)propanedinitrile.

Molecular Properties

Compound Name2-(1-phenylcyclopropanecarbonyl)propanedinitrile
PubChem CID79168773
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-(1-phenylcyclopropanecarbonyl)propanedinitrile
SMILESN#CC(C#N)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H10N2O/c14-8-10(9-15)12(16)13(6-7-13)11-4-2-1-3-5-11/h1-5,10H,6-7H2
InChIKeyCFYPIDGLGZZJOJ-UHFFFAOYSA-N
XLogP1.95
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopropanecarbonyl)propanedinitrile?
The IUPAC name of 2-(1-phenylcyclopropanecarbonyl)propanedinitrile (CID 79168773) is 2-(1-phenylcyclopropanecarbonyl)propanedinitrile.
What is the SMILES notation for 2-(1-phenylcyclopropanecarbonyl)propanedinitrile?
The canonical SMILES for 2-(1-phenylcyclopropanecarbonyl)propanedinitrile is N#CC(C#N)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(1-phenylcyclopropanecarbonyl)propanedinitrile?
The InChIKey is CFYPIDGLGZZJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-10(9-15)12(16)13(6-7-13)11-4-2-1-3-5-11/h1-5,10H,6-7H2.
What are the key properties of 2-(1-phenylcyclopropanecarbonyl)propanedinitrile?
2-(1-phenylcyclopropanecarbonyl)propanedinitrile has a molecular weight of 210.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopropanecarbonyl)propanedinitrile is sourced from PubChem (CID 79168773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).