4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C17H19NO2 — CID 2932919

IUPAC4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(c1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C17H19NO2/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h2-6,10,12-15H,7-9H2,1H3
InChIKeyGODFQPQEXGMYCD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.78
Rot. Bonds2

About 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 2932919) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID2932919
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(c1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C17H19NO2/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h2-6,10,12-15H,7-9H2,1H3
InChIKeyGODFQPQEXGMYCD-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

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Related Compounds

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-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2924797
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
N-benzyl-2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
CID 2925838
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
4-Benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2962986
5-methyl-2-(1-phenylethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2971730
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylpropanamide
CID 3235764
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585
N-benzyl-N-butyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 4608154
(3R,3aR,7aS)-2-benzyl-3-(3-methylphenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060139

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 2932919) is 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC(c1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is GODFQPQEXGMYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 269.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 2932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).