4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C16H14ClNO2 — CID 3560766

IUPAC4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3CC(C4CC43)C2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-7-1-3-8(4-2-7)18-15(19)13-11-6-12(10-5-9(10)11)14(13)16(18)20/h1-4,9-14H,5-6H2
InChIKeyCIHMPOBSQVRFKY-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 3560766) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID3560766
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3CC(C4CC43)C2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-7-1-3-8(4-2-7)18-15(19)13-11-6-12(10-5-9(10)11)14(13)16(18)20/h1-4,9-14H,5-6H2
InChIKeyCIHMPOBSQVRFKY-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 3560766) is 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is O=C1C2C3CC(C4CC43)C2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is CIHMPOBSQVRFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-7-1-3-8(4-2-7)18-15(19)13-11-6-12(10-5-9(10)11)14(13)16(18)20/h1-4,9-14H,5-6H2.
What are the key properties of 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 287.75 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 3560766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).