1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C17H17NO2 — CID 622375

IUPAC1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1C(=CC(=O)c2ccco2)C(C)(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-17(2)12-7-4-5-8-13(12)18(3)16(17)11-14(19)15-9-6-10-20-15/h4-11H,1-3H3
InChIKeyHNPHFBPBGCPNJL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds2

About 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 622375) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID622375
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1C(=CC(=O)c2ccco2)C(C)(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-17(2)12-7-4-5-8-13(12)18(3)16(17)11-14(19)15-9-6-10-20-15/h4-11H,1-3H3
InChIKeyHNPHFBPBGCPNJL-UHFFFAOYSA-N
XLogP3.77
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone 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 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 622375) is 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CN1C(=CC(=O)c2ccco2)C(C)(C)c2ccccc21.
What is the InChIKey of 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is HNPHFBPBGCPNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2)12-7-4-5-8-13(12)18(3)16(17)11-14(19)15-9-6-10-20-15/h4-11H,1-3H3.
What are the key properties of 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 622375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).