10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C12H13NO2 — CID 2891835

IUPAC10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(C)=C1C2C=CC1C1C(=O)NC(=O)C21
InChIInChI=1S/C12H13NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h3-4,6-7,9-10H,1-2H3,(H,13,14,15)
InChIKeyMOUDGOQQAUDGFJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds

About 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2891835) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2891835
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(C)=C1C2C=CC1C1C(=O)NC(=O)C21
InChIInChI=1S/C12H13NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h3-4,6-7,9-10H,1-2H3,(H,13,14,15)
InChIKeyMOUDGOQQAUDGFJ-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2891835) is 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC(C)=C1C2C=CC1C1C(=O)NC(=O)C21.
What is the InChIKey of 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is MOUDGOQQAUDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h3-4,6-7,9-10H,1-2H3,(H,13,14,15).
What are the key properties of 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2891835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).