(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione

C12H19NO2 — CID 129307318

IUPAC(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione
SMILESCCC1C(=O)NC(=O)C2CC(C)[C@H]2C1C
InChIInChI=1S/C12H19NO2/c1-4-8-7(3)10-6(2)5-9(10)12(15)13-11(8)14/h6-10H,4-5H2,1-3H3,(H,13,14,15)/t6?,7?,8?,9?,10-/m0/s1
InChIKeyLLCNXCCDTWDRPB-XZXVQBCNSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds1

About (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione

(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione (PubChem CID 129307318) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione.

Molecular Properties

Compound Name(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione
PubChem CID129307318
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione
SMILESCCC1C(=O)NC(=O)C2CC(C)[C@H]2C1C
InChIInChI=1S/C12H19NO2/c1-4-8-7(3)10-6(2)5-9(10)12(15)13-11(8)14/h6-10H,4-5H2,1-3H3,(H,13,14,15)/t6?,7?,8?,9?,10-/m0/s1
InChIKeyLLCNXCCDTWDRPB-XZXVQBCNSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione?
The IUPAC name of (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione (CID 129307318) is (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione.
What is the SMILES notation for (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione?
The canonical SMILES for (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione is CCC1C(=O)NC(=O)C2CC(C)[C@H]2C1C.
What is the InChIKey of (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione?
The InChIKey is LLCNXCCDTWDRPB-XZXVQBCNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-8-7(3)10-6(2)5-9(10)12(15)13-11(8)14/h6-10H,4-5H2,1-3H3,(H,13,14,15)/t6?,7?,8?,9?,10-/m0/s1.
What are the key properties of (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione?
(7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione has a molecular weight of 209.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-ethyl-6,8-dimethyl-3-azabicyclo[5.2.0]nonane-2,4-dione is sourced from PubChem (CID 129307318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).