3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

C7H10N2O3 — CID 85166730

IUPAC3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESO=C1NN(CCO)C(=O)C2CC12
InChIInChI=1S/C7H10N2O3/c10-2-1-9-7(12)5-3-4(5)6(11)8-9/h4-5,10H,1-3H2,(H,8,11)
InChIKeyPTODREDTTXHPOH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.51
Rot. Bonds2

About 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (PubChem CID 85166730) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
PubChem CID85166730
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESO=C1NN(CCO)C(=O)C2CC12
InChIInChI=1S/C7H10N2O3/c10-2-1-9-7(12)5-3-4(5)6(11)8-9/h4-5,10H,1-3H2,(H,8,11)
InChIKeyPTODREDTTXHPOH-UHFFFAOYSA-N
XLogP-1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The IUPAC name of 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (CID 85166730) is 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is O=C1NN(CCO)C(=O)C2CC12.
What is the InChIKey of 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The InChIKey is PTODREDTTXHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-2-1-9-7(12)5-3-4(5)6(11)8-9/h4-5,10H,1-3H2,(H,8,11).
What are the key properties of 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is sourced from PubChem (CID 85166730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).