(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one

C11H17NO — CID 138965518

IUPAC(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@]2(C)C=C[C@@]1(C)N2
InChIInChI=1S/C11H17NO/c1-7-9(13)8(2)11(4)6-5-10(7,3)12-11/h5-8,12H,1-4H3/t7-,8+,10-,11+
InChIKeyMSUYOYITTIMNIT-CBZSFBHOSA-N
MW179.26 g/mol
LogP1.52
Rot. Bonds

About (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one

(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 138965518) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
PubChem CID138965518
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@]2(C)C=C[C@@]1(C)N2
InChIInChI=1S/C11H17NO/c1-7-9(13)8(2)11(4)6-5-10(7,3)12-11/h5-8,12H,1-4H3/t7-,8+,10-,11+
InChIKeyMSUYOYITTIMNIT-CBZSFBHOSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,4R,5S)-1,2,4,5,8-pentamethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138965399
(1S,2S,4R,5R)-1,2,4,5,6,7-hexamethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138965519
2,2,6,6-Tetramethyl-3-(prop-2-en-1-yl)piperidin-4-one
CID 21330490
(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 57666554
(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one;methyl acetate
CID 162208483
2,4-Dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 129930409

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one (CID 138965518) is (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is C[C@@H]1C(=O)[C@H](C)[C@]2(C)C=C[C@@]1(C)N2.
What is the InChIKey of (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is MSUYOYITTIMNIT-CBZSFBHOSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-9(13)8(2)11(4)6-5-10(7,3)12-11/h5-8,12H,1-4H3/t7-,8+,10-,11+.
What are the key properties of (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one?
(1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-1,2,4,5-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 138965518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).