1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one

C9H15NO — CID 20653181

IUPAC1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one
SMILESCC1NC(=O)CC2(C)CC12C
InChIInChI=1S/C9H15NO/c1-6-9(3)5-8(9,2)4-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyWVCBJCMHGNDPSR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.31
Rot. Bonds

About 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one

1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one (PubChem CID 20653181) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one.

Molecular Properties

Compound Name1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one
PubChem CID20653181
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one
SMILESCC1NC(=O)CC2(C)CC12C
InChIInChI=1S/C9H15NO/c1-6-9(3)5-8(9,2)4-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyWVCBJCMHGNDPSR-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263
1-methyl-2-azaspiro[4.5]decan-3-one
CID 66108261
4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one
CID 66109348
1,6,9-trimethyl-2-azaspiro[4.5]decan-3-one
CID 66108693
4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107823
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
1,8-dimethyl-2-azaspiro[4.6]undecan-3-one
CID 66107618
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
CID 145215661
(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one
CID 163475546
4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107191
1,7-dimethyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66107621
ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 105360360

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one?
The IUPAC name of 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one (CID 20653181) is 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one.
What is the SMILES notation for 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one?
The canonical SMILES for 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one is CC1NC(=O)CC2(C)CC12C.
What is the InChIKey of 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one?
The InChIKey is WVCBJCMHGNDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-9(3)5-8(9,2)4-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one?
1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-3-azabicyclo[4.1.0]heptan-4-one is sourced from PubChem (CID 20653181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).