2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile

C13H13NO — CID 23499878

IUPAC2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
SMILESCC(C#N)c1ccccc1C(=O)C1CC1
InChIInChI=1S/C13H13NO/c1-9(8-14)11-4-2-3-5-12(11)13(15)10-6-7-10/h2-5,9-10H,6-7H2,1H3
InChIKeyGFBWVMQLRJQGMY-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.91
Rot. Bonds3

About 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile

2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile (PubChem CID 23499878) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
PubChem CID23499878
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
SMILESCC(C#N)c1ccccc1C(=O)C1CC1
InChIInChI=1S/C13H13NO/c1-9(8-14)11-4-2-3-5-12(11)13(15)10-6-7-10/h2-5,9-10H,6-7H2,1H3
InChIKeyGFBWVMQLRJQGMY-UHFFFAOYSA-N
XLogP2.91
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile?
The IUPAC name of 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile (CID 23499878) is 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile.
What is the SMILES notation for 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile?
The canonical SMILES for 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile is CC(C#N)c1ccccc1C(=O)C1CC1.
What is the InChIKey of 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile?
The InChIKey is GFBWVMQLRJQGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9(8-14)11-4-2-3-5-12(11)13(15)10-6-7-10/h2-5,9-10H,6-7H2,1H3.
What are the key properties of 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile?
2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile has a molecular weight of 199.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile is sourced from PubChem (CID 23499878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).