3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal

C20H23NO — CID 169452309

IUPAC3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal
SMILESCC(C=CC=CC=C1N(C)c2ccccc2C1(C)C)=CC=O
InChIInChI=1S/C20H23NO/c1-16(14-15-22)10-6-5-7-13-19-20(2,3)17-11-8-9-12-18(17)21(19)4/h5-15H,1-4H3
InChIKeyCZRYDQYFWQWGJM-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.56
Rot. Bonds4

About 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal

3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal (PubChem CID 169452309) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal.

Molecular Properties

Compound Name3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal
PubChem CID169452309
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal
SMILESCC(C=CC=CC=C1N(C)c2ccccc2C1(C)C)=CC=O
InChIInChI=1S/C20H23NO/c1-16(14-15-22)10-6-5-7-13-19-20(2,3)17-11-8-9-12-18(17)21(19)4/h5-15H,1-4H3
InChIKeyCZRYDQYFWQWGJM-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal?
The IUPAC name of 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal (CID 169452309) is 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal.
What is the SMILES notation for 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal?
The canonical SMILES for 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal is CC(C=CC=CC=C1N(C)c2ccccc2C1(C)C)=CC=O.
What is the InChIKey of 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal?
The InChIKey is CZRYDQYFWQWGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16(14-15-22)10-6-5-7-13-19-20(2,3)17-11-8-9-12-18(17)21(19)4/h5-15H,1-4H3.
What are the key properties of 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal?
3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal has a molecular weight of 293.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal is sourced from PubChem (CID 169452309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).