1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile

C15H13NS — CID 65408435

IUPAC1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Cc2ccsc2)CCc2ccccc21
InChIInChI=1S/C15H13NS/c16-11-15(9-12-6-8-17-10-12)7-5-13-3-1-2-4-14(13)15/h1-4,6,8,10H,5,7,9H2
InChIKeyHVRQHZNYMSYQBJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.70
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile

1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 65408435) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID65408435
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Cc2ccsc2)CCc2ccccc21
InChIInChI=1S/C15H13NS/c16-11-15(9-12-6-8-17-10-12)7-5-13-3-1-2-4-14(13)15/h1-4,6,8,10H,5,7,9H2
InChIKeyHVRQHZNYMSYQBJ-UHFFFAOYSA-N
XLogP3.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile (CID 65408435) is 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile is N#CC1(Cc2ccsc2)CCc2ccccc21.
What is the InChIKey of 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is HVRQHZNYMSYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c16-11-15(9-12-6-8-17-10-12)7-5-13-3-1-2-4-14(13)15/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 239.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 65408435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).