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

C10H15NO — CID 130027015

IUPAC2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)C2C=CC1N2C
InChIInChI=1S/C10H15NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-9H,1-3H3
InChIKeyCGNFANDOMSVQQI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.08
Rot. Bonds

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

2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 130027015) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
PubChem CID130027015
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)C2C=CC1N2C
InChIInChI=1S/C10H15NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-9H,1-3H3
InChIKeyCGNFANDOMSVQQI-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,4-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 12413222
6-Tropen-3-on
CID 118887080
8-Methyl-8-azabicyclo(3.2.1)oct-6-en-3-one
CID 565060
methyl (1S,2R,4S,5R)-2,4-dimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 11138335
3-Allyl-1-methyl-4-piperidone
CID 11457792
1-(2-Pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
CID 134980510
1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
(1R,5S)-8-acetyl-2,2,4,4-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138964665
(1R,2S,4R,5S)-1,2,4,5,8-pentamethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138965399
(1R,2S,4R,5S)-2,8-dimethyl-4-propyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967016
(1R,4R,5S)-2,2,4,8-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967017
Methyl 2-ethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 45094911

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (CID 130027015) is 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is CC1C(=O)C(C)C2C=CC1N2C.
What is the InChIKey of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is CGNFANDOMSVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-9H,1-3H3.
What are the key properties of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 130027015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).