3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile

C18H17N — CID 10848103

IUPAC3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
SMILESN#CCCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H17N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-12H2
InChIKeyHHQIYPUXVRPTRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.22
Rot. Bonds2

About 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile

3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile (PubChem CID 10848103) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile.

Molecular Properties

Compound Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
PubChem CID10848103
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
SMILESN#CCCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H17N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-12H2
InChIKeyHHQIYPUXVRPTRF-UHFFFAOYSA-N
XLogP4.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(8-oxo-7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanenitrile
CID 130030624
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 14091111
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
6-[(1S)-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]hexanenitrile
CID 134953498
2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
CID 83985096
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
CID 14140318
2-cyanoethyl-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium
CID 2055611
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
2,3-dihydro-1H-inden-1-ylcyanamide
CID 62483491
3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
CID 3030894
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile?
The IUPAC name of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile (CID 10848103) is 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile.
What is the SMILES notation for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile?
The canonical SMILES for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile is N#CCCC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile?
The InChIKey is HHQIYPUXVRPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-12H2.
What are the key properties of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile?
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile has a molecular weight of 247.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile is sourced from PubChem (CID 10848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).