8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one

C11H15NO2 — CID 21487033

IUPAC8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(=O)N1C2C=CC1C(C)C(=O)C2C
InChIInChI=1S/C11H15NO2/c1-6-9-4-5-10(7(2)11(6)14)12(9)8(3)13/h4-7,9-10H,1-3H3
InChIKeyWSKJZBFLZXQKKG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds

About 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one

8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 21487033) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
PubChem CID21487033
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESCC(=O)N1C2C=CC1C(C)C(=O)C2C
InChIInChI=1S/C11H15NO2/c1-6-9-4-5-10(7(2)11(6)14)12(9)8(3)13/h4-7,9-10H,1-3H3
InChIKeyWSKJZBFLZXQKKG-UHFFFAOYSA-N
XLogP1.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (CID 21487033) is 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is CC(=O)N1C2C=CC1C(C)C(=O)C2C.
What is the InChIKey of 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is WSKJZBFLZXQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-9-4-5-10(7(2)11(6)14)12(9)8(3)13/h4-7,9-10H,1-3H3.
What are the key properties of 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2,4-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 21487033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).