1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

C10H15NO2 — CID 16077

IUPAC1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC12CCC(C(=O)NC1=O)C2(C)C
InChIInChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNRQVXWNPFZZDMQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.09
Rot. Bonds

About 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 16077) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID16077
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC12CCC(C(=O)NC1=O)C2(C)C
InChIInChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNRQVXWNPFZZDMQ-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.09
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 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione (CID 16077) is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is CC12CCC(C(=O)NC1=O)C2(C)C.
What is the InChIKey of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is NRQVXWNPFZZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione?
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 181.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 16077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).