(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione

C7H10N2O2 — CID 101042940

IUPAC(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
SMILESCN1C(=O)[C@H]2C[C@H]2N(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-8-5-3-4(5)6(10)9(2)7(8)11/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyYMFUWTQSWGLOLW-CRCLSJGQSA-N
MW154.17 g/mol
LogP-0.10
Rot. Bonds

About (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione

(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione (PubChem CID 101042940) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione.

Molecular Properties

Compound Name(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
PubChem CID101042940
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
SMILESCN1C(=O)[C@H]2C[C@H]2N(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-8-5-3-4(5)6(10)9(2)7(8)11/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyYMFUWTQSWGLOLW-CRCLSJGQSA-N
XLogP-0.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione?
The IUPAC name of (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione (CID 101042940) is (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione.
What is the SMILES notation for (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione?
The canonical SMILES for (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione is CN1C(=O)[C@H]2C[C@H]2N(C)C1=O.
What is the InChIKey of (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione?
The InChIKey is YMFUWTQSWGLOLW-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-8-5-3-4(5)6(10)9(2)7(8)11/h4-5H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione?
(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione is sourced from PubChem (CID 101042940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).