2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione

C8H12N2O2 — CID 143367578

IUPAC2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione
SMILESCN1C(=O)CC2CC2N(C)C1=O
InChIInChI=1S/C8H12N2O2/c1-9-6-3-5(6)4-7(11)10(2)8(9)12/h5-6H,3-4H2,1-2H3
InChIKeyCPNYMPBLGHEXIX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds

About 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione

2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione (PubChem CID 143367578) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione
PubChem CID143367578
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione
SMILESCN1C(=O)CC2CC2N(C)C1=O
InChIInChI=1S/C8H12N2O2/c1-9-6-3-5(6)4-7(11)10(2)8(9)12/h5-6H,3-4H2,1-2H3
InChIKeyCPNYMPBLGHEXIX-UHFFFAOYSA-N
XLogP0.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 78292189
(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
CID 101042940
6-chloro-1-methyl-3-(trideuteriomethyl)-1,3-diazinane-2,4-dione
CID 178189048
1-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indole-5-carboxylic acid
CID 83818819
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
1-methyl-2,5-dioxopyrrolidine-3-carbonitrile
CID 83815093
1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione
CID 73164606
(1S,2R,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 148604993
(1-methyl-2,5-dioxopyrrolidin-3-yl)mercury
CID 142151473
6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719
6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 75129196
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 43635971

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione?
The IUPAC name of 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione (CID 143367578) is 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione?
The canonical SMILES for 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione is CN1C(=O)CC2CC2N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione?
The InChIKey is CPNYMPBLGHEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-9-6-3-5(6)4-7(11)10(2)8(9)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione?
2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione has a molecular weight of 168.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione is sourced from PubChem (CID 143367578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).