4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione

C12H16N2O2 — CID 102894872

IUPAC4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESO=C1C2C3CCCC3CN2C(=O)N1C1CC1
InChIInChI=1S/C12H16N2O2/c15-11-10-9-3-1-2-7(9)6-13(10)12(16)14(11)8-4-5-8/h7-10H,1-6H2
InChIKeyXJFFYKYENCXPME-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.21
Rot. Bonds1

About 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione

4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione (PubChem CID 102894872) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
PubChem CID102894872
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESO=C1C2C3CCCC3CN2C(=O)N1C1CC1
InChIInChI=1S/C12H16N2O2/c15-11-10-9-3-1-2-7(9)6-13(10)12(16)14(11)8-4-5-8/h7-10H,1-6H2
InChIKeyXJFFYKYENCXPME-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The IUPAC name of 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione (CID 102894872) is 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione.
What is the SMILES notation for 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The canonical SMILES for 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione is O=C1C2C3CCCC3CN2C(=O)N1C1CC1.
What is the InChIKey of 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The InChIKey is XJFFYKYENCXPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-10-9-3-1-2-7(9)6-13(10)12(16)14(11)8-4-5-8/h7-10H,1-6H2.
What are the key properties of 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione has a molecular weight of 220.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione is sourced from PubChem (CID 102894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).