1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione

C8H11NO2 — CID 23049845

IUPAC1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCC12CCC1(C)C(=O)NC2=O
InChIInChI=1S/C8H11NO2/c1-7-3-4-8(7,2)6(11)9-5(7)10/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyZIVCMADWVLPVEA-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.45
Rot. Bonds

About 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione

1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione (PubChem CID 23049845) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
PubChem CID23049845
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCC12CCC1(C)C(=O)NC2=O
InChIInChI=1S/C8H11NO2/c1-7-3-4-8(7,2)6(11)9-5(7)10/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyZIVCMADWVLPVEA-UHFFFAOYSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione (CID 23049845) is 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione is CC12CCC1(C)C(=O)NC2=O.
What is the InChIKey of 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is ZIVCMADWVLPVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7-3-4-8(7,2)6(11)9-5(7)10/h3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 23049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).