5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one

C23H23NO2 — CID 3018966

IUPAC5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
SMILESCOc1ccc2c(c1)CC(=CC=C1N(C)c3ccccc3C1(C)C)C2=O
InChIInChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3
InChIKeyZPOYEVJBRHNQGP-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.67
Rot. Bonds2

About 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one

5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one (PubChem CID 3018966) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one.

Molecular Properties

Compound Name5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
PubChem CID3018966
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
SMILESCOc1ccc2c(c1)CC(=CC=C1N(C)c3ccccc3C1(C)C)C2=O
InChIInChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3
InChIKeyZPOYEVJBRHNQGP-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one?
The IUPAC name of 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one (CID 3018966) is 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one.
What is the SMILES notation for 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one?
The canonical SMILES for 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one is COc1ccc2c(c1)CC(=CC=C1N(C)c3ccccc3C1(C)C)C2=O.
What is the InChIKey of 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one?
The InChIKey is ZPOYEVJBRHNQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3.
What are the key properties of 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one?
5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one has a molecular weight of 345.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one is sourced from PubChem (CID 3018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).