3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C10H14N2O3 — CID 163112483

IUPAC3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1C2CCCN2C(=O)C2(O)CCCN12
InChIInChI=1S/C10H14N2O3/c13-8-7-3-1-5-11(7)9(14)10(15)4-2-6-12(8)10/h7,15H,1-6H2
InChIKeyPYRVMBRYGHXZGB-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.70
Rot. Bonds

About 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 163112483) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID163112483
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1C2CCCN2C(=O)C2(O)CCCN12
InChIInChI=1S/C10H14N2O3/c13-8-7-3-1-5-11(7)9(14)10(15)4-2-6-12(8)10/h7,15H,1-6H2
InChIKeyPYRVMBRYGHXZGB-UHFFFAOYSA-N
XLogP-0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

zinc bis(8-oxo-2-oxoniumylidene-1,7-diazatricyclo[7.3.0.03,7]dodecane-3-thiolate)
CID 3640101
2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944728
(3S,9S,15S,17S,19S,22S,28S,34S,36S,38S)-9,15,28,34-tetramethyl-2,8,14,21,27,33-hexaoxo-16,35-dithia-1,7,13,20,26,32-hexazaheptacyclo[34.2.1.117,20.03,7.09,13.022,26.028,32]tetracontane-19,38-dicarboxylic acid
CID 15970038
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione
CID 58560734
(3R)-8a-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 56953620
(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione
CID 163190946
(7aS)-2-cyclopropyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 130622288
(8aR)-3,3-dimethyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
CID 89403221
(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione
CID 155816681
(7aS)-2-methyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CID 41097902
3-hydroxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 146681249

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 163112483) is 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is O=C1C2CCCN2C(=O)C2(O)CCCN12.
What is the InChIKey of 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is PYRVMBRYGHXZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-8-7-3-1-5-11(7)9(14)10(15)4-2-6-12(8)10/h7,15H,1-6H2.
What are the key properties of 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 210.23 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 163112483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).