(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one

C20H17NO2 — CID 126211427

IUPAC(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)c2ccccc21
InChIInChI=1S/C20H17NO2/c1-2-21-18-9-5-4-8-16(18)17(20(21)22)12-14-11-15-7-3-6-10-19(15)23-13-14/h3-12H,2,13H2,1H3/b17-12+
InChIKeyAHZNVCZTXHNDTM-SFQUDFHCSA-N
MW303.36 g/mol
LogP3.91
Rot. Bonds2

About (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one

(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one (PubChem CID 126211427) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one
PubChem CID126211427
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)c2ccccc21
InChIInChI=1S/C20H17NO2/c1-2-21-18-9-5-4-8-16(18)17(20(21)22)12-14-11-15-7-3-6-10-19(15)23-13-14/h3-12H,2,13H2,1H3/b17-12+
InChIKeyAHZNVCZTXHNDTM-SFQUDFHCSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one 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 (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one?
The IUPAC name of (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one (CID 126211427) is (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one.
What is the SMILES notation for (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one?
The canonical SMILES for (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one is CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)c2ccccc21.
What is the InChIKey of (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one?
The InChIKey is AHZNVCZTXHNDTM-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-21-18-9-5-4-8-16(18)17(20(21)22)12-14-11-15-7-3-6-10-19(15)23-13-14/h3-12H,2,13H2,1H3/b17-12+.
What are the key properties of (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one?
(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one has a molecular weight of 303.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one is sourced from PubChem (CID 126211427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).