11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C18H27NO3Si — CID 87332317

IUPAC11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESC=CCN1C(=O)C2C(C1=O)C1C3OC3C2C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-7-8-19-16(20)9-10(17(19)21)12-14-13(22-14)11(9)15(12)23(5,6)18(2,3)4/h7,9-15H,1,8H2,2-6H3
InChIKeyZKMWAEHGHOGCAM-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.68
Rot. Bonds3

About 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 87332317) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID87332317
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESC=CCN1C(=O)C2C(C1=O)C1C3OC3C2C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-7-8-19-16(20)9-10(17(19)21)12-14-13(22-14)11(9)15(12)23(5,6)18(2,3)4/h7,9-15H,1,8H2,2-6H3
InChIKeyZKMWAEHGHOGCAM-UHFFFAOYSA-N
XLogP2.68
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-pentyl-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 87332232
(3aR,4R,7S,7aR)-2-prop-2-enyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 11905393
2-propan-2-yl-4-prop-2-enyl-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 87332236
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
8-ethyl-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 87332256
(3aR,4S,7R,7aS)-4,7-diphenyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 691934
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
8-(2-methylpropyl)-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 87332392
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
(3aS,4S,7aS)-4-hydroxy-4,7,7-trimethyl-2-prop-2-enyl-3a,7a-dihydroisoindole-1,3-dione
CID 11905422
5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 121402947

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 87332317) is 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is C=CCN1C(=O)C2C(C1=O)C1C3OC3C2C1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is ZKMWAEHGHOGCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-7-8-19-16(20)9-10(17(19)21)12-14-13(22-14)11(9)15(12)23(5,6)18(2,3)4/h7,9-15H,1,8H2,2-6H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 333.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(dimethyl)silyl]-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 87332317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).