2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione

C8H10N2O5 — CID 14015722

IUPAC2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESO=C1NC2CC3NC(=O)OC3C(O)C2O1
InChIInChI=1S/C8H10N2O5/c11-4-5-2(9-7(12)14-5)1-3-6(4)15-8(13)10-3/h2-6,11H,1H2,(H,9,12)(H,10,13)
InChIKeyCKQSESKTPIBMJO-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.29
Rot. Bonds

About 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione

2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione (PubChem CID 14015722) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione.

Molecular Properties

Compound Name2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione
PubChem CID14015722
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESO=C1NC2CC3NC(=O)OC3C(O)C2O1
InChIInChI=1S/C8H10N2O5/c11-4-5-2(9-7(12)14-5)1-3-6(4)15-8(13)10-3/h2-6,11H,1H2,(H,9,12)(H,10,13)
InChIKeyCKQSESKTPIBMJO-UHFFFAOYSA-N
XLogP-1.29
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The IUPAC name of 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione (CID 14015722) is 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione.
What is the SMILES notation for 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The canonical SMILES for 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione is O=C1NC2CC3NC(=O)OC3C(O)C2O1.
What is the InChIKey of 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The InChIKey is CKQSESKTPIBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-4-5-2(9-7(12)14-5)1-3-6(4)15-8(13)10-3/h2-6,11H,1H2,(H,9,12)(H,10,13).
What are the key properties of 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione has a molecular weight of 214.18 g/mol, XLogP of -1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione is sourced from PubChem (CID 14015722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).