2-(9-hydroxyfluoren-9-yl)propanenitrile

C16H13NO — CID 21161844

IUPAC2-(9-hydroxyfluoren-9-yl)propanenitrile
SMILESCC(C#N)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13NO/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,18H,1H3
InChIKeyCTAHJSQLQCNVKY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.06
Rot. Bonds1

About 2-(9-hydroxyfluoren-9-yl)propanenitrile

2-(9-hydroxyfluoren-9-yl)propanenitrile (PubChem CID 21161844) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(9-hydroxyfluoren-9-yl)propanenitrile.

Molecular Properties

Compound Name2-(9-hydroxyfluoren-9-yl)propanenitrile
PubChem CID21161844
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-(9-hydroxyfluoren-9-yl)propanenitrile
SMILESCC(C#N)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13NO/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,18H,1H3
InChIKeyCTAHJSQLQCNVKY-UHFFFAOYSA-N
XLogP3.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxyfluoren-9-yl)propanenitrile?
The IUPAC name of 2-(9-hydroxyfluoren-9-yl)propanenitrile (CID 21161844) is 2-(9-hydroxyfluoren-9-yl)propanenitrile.
What is the SMILES notation for 2-(9-hydroxyfluoren-9-yl)propanenitrile?
The canonical SMILES for 2-(9-hydroxyfluoren-9-yl)propanenitrile is CC(C#N)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9-hydroxyfluoren-9-yl)propanenitrile?
The InChIKey is CTAHJSQLQCNVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,18H,1H3.
What are the key properties of 2-(9-hydroxyfluoren-9-yl)propanenitrile?
2-(9-hydroxyfluoren-9-yl)propanenitrile has a molecular weight of 235.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxyfluoren-9-yl)propanenitrile is sourced from PubChem (CID 21161844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).