3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole

C19H19N — CID 71739819

IUPAC3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
SMILESCc1cccc(/C=C/C2=Nc3ccccc3C2(C)C)c1
InChIInChI=1S/C19H19N/c1-14-7-6-8-15(13-14)11-12-18-19(2,3)16-9-4-5-10-17(16)20-18/h4-13H,1-3H3/b12-11+
InChIKeyMTNNOTDQHUNHQS-VAWYXSNFSA-N
MW261.37 g/mol
LogP5.07
Rot. Bonds2

About 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole

3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole (PubChem CID 71739819) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole.

Molecular Properties

Compound Name3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
PubChem CID71739819
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
SMILESCc1cccc(/C=C/C2=Nc3ccccc3C2(C)C)c1
InChIInChI=1S/C19H19N/c1-14-7-6-8-15(13-14)11-12-18-19(2,3)16-9-4-5-10-17(16)20-18/h4-13H,1-3H3/b12-11+
InChIKeyMTNNOTDQHUNHQS-VAWYXSNFSA-N
XLogP5.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole?
The IUPAC name of 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole (CID 71739819) is 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole.
What is the SMILES notation for 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole?
The canonical SMILES for 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole is Cc1cccc(/C=C/C2=Nc3ccccc3C2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole?
The InChIKey is MTNNOTDQHUNHQS-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19N/c1-14-7-6-8-15(13-14)11-12-18-19(2,3)16-9-4-5-10-17(16)20-18/h4-13H,1-3H3/b12-11+.
What are the key properties of 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole?
3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole has a molecular weight of 261.37 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole is sourced from PubChem (CID 71739819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).