(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione

C12H18N2O2 — CID 100977876

IUPAC(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione
SMILESO=C1N[C@@H]2CCCC[C@@H]2C(=O)N2CCC[C@@H]12
InChIInChI=1S/C12H18N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h8-10H,1-7H2,(H,13,15)/t8-,9+,10-/m0/s1
InChIKeyGPOLQBRXKGQVIX-AEJSXWLSSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds

About (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione

(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione (PubChem CID 100977876) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione.

Molecular Properties

Compound Name(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione
PubChem CID100977876
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione
SMILESO=C1N[C@@H]2CCCC[C@@H]2C(=O)N2CCC[C@@H]12
InChIInChI=1S/C12H18N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h8-10H,1-7H2,(H,13,15)/t8-,9+,10-/m0/s1
InChIKeyGPOLQBRXKGQVIX-AEJSXWLSSA-N
XLogP0.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione?
The IUPAC name of (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione (CID 100977876) is (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione.
What is the SMILES notation for (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione?
The canonical SMILES for (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione is O=C1N[C@@H]2CCCC[C@@H]2C(=O)N2CCC[C@@H]12.
What is the InChIKey of (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione?
The InChIKey is GPOLQBRXKGQVIX-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h8-10H,1-7H2,(H,13,15)/t8-,9+,10-/m0/s1.
What are the key properties of (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione?
(1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione has a molecular weight of 222.29 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,10R)-3,9-diazatricyclo[8.4.0.03,7]tetradecane-2,8-dione is sourced from PubChem (CID 100977876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).