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

C6H8N2O2 — CID 86311733

IUPAC(1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)[C@H]2C[C@H]2C1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)/t3-,4+/m0/s1
InChIKeyARHVCUDVPULNTH-IUYQGCFVSA-N
MW140.14 g/mol
LogP-0.87
Rot. Bonds

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

(1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (PubChem CID 86311733) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.

Molecular Properties

Compound Name(1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
PubChem CID86311733
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)[C@H]2C[C@H]2C1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)/t3-,4+/m0/s1
InChIKeyARHVCUDVPULNTH-IUYQGCFVSA-N
XLogP-0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Diazabicyclo[4.1.0]heptane-2,5-dione, 3,7,7-trimethyl-
CID 10702255
3-Butyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10773775
3-Methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10844454
3,4-Diazabicyclo[4.1.0]heptane-2,5-dione
CID 19936394
(+/-)-3-Isobutyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 19936397
3-Prop-2-ynyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 85287656
(6R)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 90977422
(1S,6R)-3-(2-methylpropyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10511637
(1S,6R)-3-prop-2-ynyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10844750
3-Methyl-3,4-diazabicyclo[4.1.0]heptan-2-one
CID 84647896
(1S,6R)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 86311732
(1S,6R)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 93503347

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The IUPAC name of (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (CID 86311733) is (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.
What is the SMILES notation for (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The canonical SMILES for (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is CN1NC(=O)[C@H]2C[C@H]2C1=O.
What is the InChIKey of (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The InChIKey is ARHVCUDVPULNTH-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)/t3-,4+/m0/s1.
What are the key properties of (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
(1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is sourced from PubChem (CID 86311733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).