(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

C25H20N2O5 — CID 135020330

IUPAC(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
SMILESCN1CC2C([C@@H]3O[C@@H]2C2C(=O)N(c4ccccc4)C(=O)C23)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H20N2O5/c1-26-11-15-18(25(26)21(28)13-9-5-6-10-14(13)22(25)29)20-17-16(19(15)32-20)23(30)27(24(17)31)12-7-3-2-4-8-12/h2-10,15-20H,11H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKeyJSDDDYCEHIVSRH-OZFFSNAHSA-N
MW428.44 g/mol
LogP1.57
Rot. Bonds1

About (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

(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 (PubChem CID 135020330) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135020330
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name(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
SMILESCN1CC2C([C@@H]3O[C@@H]2C2C(=O)N(c4ccccc4)C(=O)C23)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H20N2O5/c1-26-11-15-18(25(26)21(28)13-9-5-6-10-14(13)22(25)29)20-17-16(19(15)32-20)23(30)27(24(17)31)12-7-3-2-4-8-12/h2-10,15-20H,11H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKeyJSDDDYCEHIVSRH-OZFFSNAHSA-N
XLogP1.57
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (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 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

(1S,2R,6S,7R)-4-phenyl-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecane-3,5-dione
CID 102434281
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
(4R,5R,6S,7S)-5,6-dihydroxy-2-phenyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11572630
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
(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
(1R,3aS,6aS)-1,5-diphenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 98169553
(1S,3aR,6aR)-1,5-diphenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 7073029
(1S,3aR,6aS)-1-methyl-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 7106940
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(3S,3aR)-3-methyl-5-(4-methylphenyl)-2-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 102063324
(3aS,9aR,9bR)-9,9-dimethyl-2-phenyl-4,6,7,8,9a,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-1,3-dione
CID 15305445
(1R,2R,6S,7R,8R,11R)-4-phenyl-4-azatetracyclo[5.4.2.02,6.08,11]tridec-9-ene-3,5-dione
CID 98518522

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CC2C([C@@H]3O[C@@H]2C2C(=O)N(c4ccccc4)C(=O)C23)C12C(=O)c1ccccc1C2=O.
What is the InChIKey of (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?
The InChIKey is JSDDDYCEHIVSRH-OZFFSNAHSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-26-11-15-18(25(26)21(28)13-9-5-6-10-14(13)22(25)29)20-17-16(19(15)32-20)23(30)27(24(17)31)12-7-3-2-4-8-12/h2-10,15-20H,11H2,1H3/t15?,16?,17?,18?,19-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 428.44 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135020330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).