4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C14H11NO4 — CID 162787664

IUPAC4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3OC(C4OC43)C2C(=O)N1c1ccccc1
InChIInChI=1S/C14H11NO4/c16-13-7-8(10-12-11(19-12)9(7)18-10)14(17)15(13)6-4-2-1-3-5-6/h1-5,7-12H
InChIKeyKOBKULZAASCTRW-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.34
Rot. Bonds1

About 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 162787664) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID162787664
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3OC(C4OC43)C2C(=O)N1c1ccccc1
InChIInChI=1S/C14H11NO4/c16-13-7-8(10-12-11(19-12)9(7)18-10)14(17)15(13)6-4-2-1-3-5-6/h1-5,7-12H
InChIKeyKOBKULZAASCTRW-UHFFFAOYSA-N
XLogP0.34
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione with MolForge

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Related Compounds

(4R,5R,6S,7S)-5,6-dihydroxy-2-phenyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11572630
(1S,2R,6S,7R)-4-phenyl-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecane-3,5-dione
CID 102434281
(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 87619166
(1S,2R,6R,7S,8R,12S)-5-(4-methylsulfinylphenyl)-10-phenyl-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 24745527
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
5,6-dihydroxy-2-(4-methylphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 58843010
(1S,2R,6R,7S,8S,12R)-5-(2-chlorophenyl)-3,10-diphenyl-13-oxa-3,4,10-triazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 102151257
(3aS,4R,7R,7aR)-2-(4-phenylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 100797157
(1S,7S)-10-methyl-4-phenylspiro[13-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridecane-9,2'-indene]-1',3,3',5-tetrone
CID 135020330
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
23-phenyl-6,16-dioxa-23-azaheptacyclo[9.9.5.02,10.04,8.012,20.014,18.021,25]pentacosa-2,4(8),9,12,14(18),19-hexaene-5,7,15,17,22,24-hexone
CID 146369901

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 162787664) is 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is O=C1C2C3OC(C4OC43)C2C(=O)N1c1ccccc1.
What is the InChIKey of 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is KOBKULZAASCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13-7-8(10-12-11(19-12)9(7)18-10)14(17)15(13)6-4-2-1-3-5-6/h1-5,7-12H.
What are the key properties of 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 257.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 162787664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).