(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C21H23NO — CID 2339263

IUPAC(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCCc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H23NO/c1-5-15-10-12-16(13-11-15)19(23)14-20-21(2,3)17-8-6-7-9-18(17)22(20)4/h6-14H,5H2,1-4H3/b20-14+
InChIKeyIMVGTYIKRZSHTL-XSFVSMFZSA-N
MW305.42 g/mol
LogP4.74
Rot. Bonds3

About (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 2339263) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID2339263
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCCc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H23NO/c1-5-15-10-12-16(13-11-15)19(23)14-20-21(2,3)17-8-6-7-9-18(17)22(20)4/h6-14H,5H2,1-4H3/b20-14+
InChIKeyIMVGTYIKRZSHTL-XSFVSMFZSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 2339263) is (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CCc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is IMVGTYIKRZSHTL-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H23NO/c1-5-15-10-12-16(13-11-15)19(23)14-20-21(2,3)17-8-6-7-9-18(17)22(20)4/h6-14H,5H2,1-4H3/b20-14+.
What are the key properties of (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 305.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 2339263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).