1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

C13H15NO2 — CID 67269955

IUPAC1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C(C1=O)C1(C)CCC2C1
InChIInChI=1S/C13H15NO2/c1-3-6-14-11(15)9-8-4-5-13(2,7-8)10(9)12(14)16/h3,8H,1,4-7H2,2H3
InChIKeyRLOORMQKJKAOGI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (PubChem CID 67269955) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.

Molecular Properties

Compound Name1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
PubChem CID67269955
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C(C1=O)C1(C)CCC2C1
InChIInChI=1S/C13H15NO2/c1-3-6-14-11(15)9-8-4-5-13(2,7-8)10(9)12(14)16/h3,8H,1,4-7H2,2H3
InChIKeyRLOORMQKJKAOGI-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 67269330
(1R,5S)-3-ethyl-1,4-dimethylbicyclo[3.2.1]oct-3-en-2-one
CID 101352434
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1,2,3-trimethylbicyclo[2.2.1]hept-2-ene
CID 6452384
15-prop-2-enyl-7,15-diazadispiro[5.1.58.36]hexadecane-14,16-dione
CID 71329902
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
5,6-dimethyl-2-prop-2-enylisoindole-1,3-dione
CID 102041761
(3aS,4S,7aS)-4-hydroxy-4,7,7-trimethyl-2-prop-2-enyl-3a,7a-dihydroisoindole-1,3-dione
CID 11905422
8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione
CID 140540510
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The IUPAC name of 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (CID 67269955) is 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.
What is the SMILES notation for 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The canonical SMILES for 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is C=CCN1C(=O)C2=C(C1=O)C1(C)CCC2C1.
What is the InChIKey of 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The InChIKey is RLOORMQKJKAOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-6-14-11(15)9-8-4-5-13(2,7-8)10(9)12(14)16/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is sourced from PubChem (CID 67269955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).