4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C13H15NO2 — CID 22917903

IUPAC4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=CCC12C=CC(C1)C1C(=O)N(C)C(=O)C12
InChIInChI=1S/C13H15NO2/c1-3-5-13-6-4-8(7-13)9-10(13)12(16)14(2)11(9)15/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyLHSSWNHWPUIFAE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds2

About 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 22917903) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID22917903
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC=CCC12C=CC(C1)C1C(=O)N(C)C(=O)C12
InChIInChI=1S/C13H15NO2/c1-3-5-13-6-4-8(7-13)9-10(13)12(16)14(2)11(9)15/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyLHSSWNHWPUIFAE-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

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CID 243912
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CID 3245308
CID 3245308
CID 547574
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CID 95704
CID 95704
CID 36432
CID 36432
CID 94343
CID 94343
CID 5737659
CID 5737659
CID 217690
CID 217690
CID 12156826
CID 12156826

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 22917903) is 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is C=CCC12C=CC(C1)C1C(=O)N(C)C(=O)C12.
What is the InChIKey of 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is LHSSWNHWPUIFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-5-13-6-4-8(7-13)9-10(13)12(16)14(2)11(9)15/h3-4,6,8-10H,1,5,7H2,2H3.
What are the key properties of 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 22917903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).