4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C20H23NO2 — CID 3368647

IUPAC4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1C2CCC1C1C(=O)N(CCc3ccccc3)C(=O)C21
InChIInChI=1S/C20H23NO2/c1-12(2)16-14-8-9-15(16)18-17(14)19(22)21(20(18)23)11-10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-11H2,1-2H3
InChIKeyRNHYQCCLWKGTBH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds3

About 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 3368647) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID3368647
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1C2CCC1C1C(=O)N(CCc3ccccc3)C(=O)C21
InChIInChI=1S/C20H23NO2/c1-12(2)16-14-8-9-15(16)18-17(14)19(22)21(20(18)23)11-10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-11H2,1-2H3
InChIKeyRNHYQCCLWKGTBH-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methylbenzyl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2942279
8-(1-phenylethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2959022
8-(diphenylmethylene)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 3524533
4'-(2-Phenylethyl)-4'-azaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0~2,6~]decane]-8'-ene-3',5'-dione
CID 2856677
4-Benzyl-10-(diphenylmethylene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2871449
2-[1-Oxo-3-phenyl-1-(1-piperidinyl)-2-propanyl]-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2925123
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2950407
10-[Bis(4-methylphenyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2957057
4-Benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2962986
1-Cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedione
CID 2972321
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 3239481
2-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3240992

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 3368647) is 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC(C)=C1C2CCC1C1C(=O)N(CCc3ccccc3)C(=O)C21.
What is the InChIKey of 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RNHYQCCLWKGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12(2)16-14-8-9-15(16)18-17(14)19(22)21(20(18)23)11-10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-11H2,1-2H3.
What are the key properties of 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 309.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 3368647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).