(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C10H14N2O2 — CID 6542165

IUPAC(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1[C@@H]2CCCN2C(=O)[C@H]2CCCN12
InChIInChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8+
InChIKeyBKASXWPLSXFART-OCAPTIKFSA-N
MW194.23 g/mol
LogP-0.02
Rot. Bonds

About (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 6542165) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID6542165
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1[C@@H]2CCCN2C(=O)[C@H]2CCCN12
InChIInChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8+
InChIKeyBKASXWPLSXFART-OCAPTIKFSA-N
XLogP-0.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 6542165) is (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is O=C1[C@@H]2CCCN2C(=O)[C@H]2CCCN12.
What is the InChIKey of (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is BKASXWPLSXFART-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8+.
What are the key properties of (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 194.23 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 6542165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).