1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C34H36N2O4 — CID 22917905

IUPAC1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=C(C)CC12C=CC(C1)C1C(=O)N(Cc3cccc(CN4C(=O)C5C6C=CC(CC(=C)C)(C6)C5C4=O)c3)C(=O)C12
InChIInChI=1S/C34H36N2O4/c1-19(2)13-33-10-8-23(15-33)25-27(33)31(39)35(29(25)37)17-21-6-5-7-22(12-21)18-36-30(38)26-24-9-11-34(16-24,14-20(3)4)28(26)32(36)40/h5-12,23-28H,1,3,13-18H2,2,4H3
InChIKeyKVKWMPVINZJVNU-UHFFFAOYSA-N
MW536.67 g/mol
LogP4.97
Rot. Bonds8

About 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 22917905) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID22917905
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=C(C)CC12C=CC(C1)C1C(=O)N(Cc3cccc(CN4C(=O)C5C6C=CC(CC(=C)C)(C6)C5C4=O)c3)C(=O)C12
InChIInChI=1S/C34H36N2O4/c1-19(2)13-33-10-8-23(15-33)25-27(33)31(39)35(29(25)37)17-21-6-5-7-22(12-21)18-36-30(38)26-24-9-11-34(16-24,14-20(3)4)28(26)32(36)40/h5-12,23-28H,1,3,13-18H2,2,4H3
InChIKeyKVKWMPVINZJVNU-UHFFFAOYSA-N
XLogP4.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.67
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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Related Compounds

4-[[Benzyl-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 648809
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585
2-(1-phenylethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2932919
2,2'-(benzene-1,4-diyldimethanediyl)bis(3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione)
CID 2835780
2-benzyl-3a-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2900942
2,2'-[(Benzylimino)bis(methylene)]bishexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 3122303
4-Benzyl-10-cyclopentylidene-4-azatricyclo[5.2.1.0(2),]dec-8-ene-3,5-dione
CID 3632590
rel-(3aR,4R,7S,7aS)-2-benzyl-8-(1-methylethylidene)hexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 639348
(3aR,4S,7R,7aS)-2-benzyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 16409800
(1S,2R,6S,7R)-4-benzyl-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11877306
(1S,7R)-4-benzyl-2-[(1R,4S)-3-propylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 134867100
4-[(1S)-1-phenylethyl]-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 134943568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 22917905) is 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is C=C(C)CC12C=CC(C1)C1C(=O)N(Cc3cccc(CN4C(=O)C5C6C=CC(CC(=C)C)(C6)C5C4=O)c3)C(=O)C12.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is KVKWMPVINZJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-19(2)13-33-10-8-23(15-33)25-27(33)31(39)35(29(25)37)17-21-6-5-7-22(12-21)18-36-30(38)26-24-9-11-34(16-24,14-20(3)4)28(26)32(36)40/h5-12,23-28H,1,3,13-18H2,2,4H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 536.67 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-[[3-[[1-(2-methylprop-2-enyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]phenyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 22917905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).