3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]

C21H17NOSe — CID 19084314

IUPAC3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]
SMILESCCN1c2ccccc2[Se]C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C21H17NOSe/c1-2-22-18-9-5-6-10-20(18)24-21(22)14-13-17-16-8-4-3-7-15(16)11-12-19(17)23-21/h3-14H,2H2,1H3
InChIKeyBXEGPRGEJTZGBV-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.77
Rot. Bonds1

About 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]

3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] (PubChem CID 19084314) has the molecular formula C21H17NOSe and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene].

Molecular Properties

Compound Name3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]
PubChem CID19084314
Molecular FormulaC21H17NOSe
Molecular Weight378.33 g/mol
Exact Mass379.05
IUPAC Name3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]
SMILESCCN1c2ccccc2[Se]C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C21H17NOSe/c1-2-22-18-9-5-6-10-20(18)24-21(22)14-13-17-16-8-4-3-7-15(16)11-12-19(17)23-21/h3-14H,2H2,1H3
InChIKeyBXEGPRGEJTZGBV-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] 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 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]?
The IUPAC name of 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] (CID 19084314) is 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene].
What is the SMILES notation for 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]?
The canonical SMILES for 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] is CCN1c2ccccc2[Se]C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]?
The InChIKey is BXEGPRGEJTZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOSe/c1-2-22-18-9-5-6-10-20(18)24-21(22)14-13-17-16-8-4-3-7-15(16)11-12-19(17)23-21/h3-14H,2H2,1H3.
What are the key properties of 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene]?
3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] has a molecular weight of 378.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[1,3-benzoselenazole-2,3'-benzo[f]chromene] is sourced from PubChem (CID 19084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).