2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C17H17NS — CID 65409400

IUPAC2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(CCc2ccsc2)CCc2ccccc2C1
InChIInChI=1S/C17H17NS/c18-13-17(8-5-14-7-10-19-12-14)9-6-15-3-1-2-4-16(15)11-17/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyYIVJRDFCMLLNIA-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 65409400) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID65409400
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(CCc2ccsc2)CCc2ccccc2C1
InChIInChI=1S/C17H17NS/c18-13-17(8-5-14-7-10-19-12-14)9-6-15-3-1-2-4-16(15)11-17/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyYIVJRDFCMLLNIA-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 65409400) is 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(CCc2ccsc2)CCc2ccccc2C1.
What is the InChIKey of 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is YIVJRDFCMLLNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c18-13-17(8-5-14-7-10-19-12-14)9-6-15-3-1-2-4-16(15)11-17/h1-4,7,10,12H,5-6,8-9,11H2.
What are the key properties of 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 267.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 65409400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).