3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile

C19H16N2 — CID 20478

IUPAC3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
SMILESN#CCCC1(CCC#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2
InChIKeyCOWHDUMHYFLLER-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.56
Rot. Bonds4

About 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile

3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile (PubChem CID 20478) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile.

Molecular Properties

Compound Name3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
PubChem CID20478
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
SMILESN#CCCC1(CCC#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2
InChIKeyCOWHDUMHYFLLER-UHFFFAOYSA-N
XLogP4.56
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
9,9-Dimethylfluorene
CID 78325
2,2-Diphenylbutyronitrile
CID 79678
2-Biphenylacetonitrile
CID 334101
1-Methyl-3-phenylindane
CID 22924
2-Cyclohexyl-2,2-diphenylacetonitrile
CID 18331517
9H-fluorene-2-carbonitrile
CID 17302
Fluorene-9,9-(bis)propylamine
CID 17001
2-(1,3-Dihydro-2H-inden-2-ylidene)propanedinitrile
CID 17278
Alpha-benzyl-alpha-phenylhydrocinnamonitrile
CID 4349671
3,3,3 Triphenylpropionitrile
CID 255295
9H-Fluorene, 9-(1-methylethyl)-
CID 18696

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile?
The IUPAC name of 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile (CID 20478) is 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile.
What is the SMILES notation for 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile?
The canonical SMILES for 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile is N#CCCC1(CCC#N)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile?
The InChIKey is COWHDUMHYFLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile?
3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile has a molecular weight of 272.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile is sourced from PubChem (CID 20478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).