5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile

C22H25NS — CID 161239616

IUPAC5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile
SMILESCC1(C)CCC(C)(C)c2cc(/C=C\Cc3ccc(C#N)s3)ccc21
InChIInChI=1S/C22H25NS/c1-21(2)12-13-22(3,4)20-14-16(8-11-19(20)21)6-5-7-17-9-10-18(15-23)24-17/h5-6,8-11,14H,7,12-13H2,1-4H3/b6-5-
InChIKeyUZVBPOFHEGVVMR-WAYWQWQTSA-N
MW335.52 g/mol
LogP6.22
Rot. Bonds3

About 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile

5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile (PubChem CID 161239616) has the molecular formula C22H25NS and a molecular weight of 335.52 g/mol. Its IUPAC name is 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile
PubChem CID161239616
Molecular FormulaC22H25NS
Molecular Weight335.52 g/mol
Exact Mass335.17
IUPAC Name5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile
SMILESCC1(C)CCC(C)(C)c2cc(/C=C\Cc3ccc(C#N)s3)ccc21
InChIInChI=1S/C22H25NS/c1-21(2)12-13-22(3,4)20-14-16(8-11-19(20)21)6-5-7-17-9-10-18(15-23)24-17/h5-6,8-11,14H,7,12-13H2,1-4H3/b6-5-
InChIKeyUZVBPOFHEGVVMR-WAYWQWQTSA-N
XLogP6.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile (CID 161239616) is 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile is CC1(C)CCC(C)(C)c2cc(/C=C\Cc3ccc(C#N)s3)ccc21.
What is the InChIKey of 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile?
The InChIKey is UZVBPOFHEGVVMR-WAYWQWQTSA-N. The full InChI is InChI=1S/C22H25NS/c1-21(2)12-13-22(3,4)20-14-16(8-11-19(20)21)6-5-7-17-9-10-18(15-23)24-17/h5-6,8-11,14H,7,12-13H2,1-4H3/b6-5-.
What are the key properties of 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile?
5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile has a molecular weight of 335.52 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]thiophene-2-carbonitrile is sourced from PubChem (CID 161239616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).