ethane;5-ethyl-2-phenylbenzonitrile

C17H19N — CID 145394501

IUPACethane;5-ethyl-2-phenylbenzonitrile
SMILESCC.CCc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C15H13N.C2H6/c1-2-12-8-9-15(14(10-12)11-16)13-6-4-3-5-7-13;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyQPPROKWSNJBHMZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.81
Rot. Bonds2

About ethane;5-ethyl-2-phenylbenzonitrile

ethane;5-ethyl-2-phenylbenzonitrile (PubChem CID 145394501) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is ethane;5-ethyl-2-phenylbenzonitrile.

Molecular Properties

Compound Nameethane;5-ethyl-2-phenylbenzonitrile
PubChem CID145394501
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Nameethane;5-ethyl-2-phenylbenzonitrile
SMILESCC.CCc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C15H13N.C2H6/c1-2-12-8-9-15(14(10-12)11-16)13-6-4-3-5-7-13;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyQPPROKWSNJBHMZ-UHFFFAOYSA-N
XLogP4.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-phenylbenzonitrile?
The IUPAC name of ethane;5-ethyl-2-phenylbenzonitrile (CID 145394501) is ethane;5-ethyl-2-phenylbenzonitrile.
What is the SMILES notation for ethane;5-ethyl-2-phenylbenzonitrile?
The canonical SMILES for ethane;5-ethyl-2-phenylbenzonitrile is CC.CCc1ccc(-c2ccccc2)c(C#N)c1.
What is the InChIKey of ethane;5-ethyl-2-phenylbenzonitrile?
The InChIKey is QPPROKWSNJBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C2H6/c1-2-12-8-9-15(14(10-12)11-16)13-6-4-3-5-7-13;1-2/h3-10H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-phenylbenzonitrile?
ethane;5-ethyl-2-phenylbenzonitrile has a molecular weight of 237.35 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-phenylbenzonitrile is sourced from PubChem (CID 145394501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).