(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one

C11H17NO — CID 130920569

IUPAC(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one
SMILESCC1(C)[C@H]2CC[C@]1(C)C=CC(=O)N2
InChIInChI=1S/C11H17NO/c1-10(2)8-4-6-11(10,3)7-5-9(13)12-8/h5,7-8H,4,6H2,1-3H3,(H,12,13)/t8-,11-/m1/s1
InChIKeyIYARGDQGHRWRJY-LDYMZIIASA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds

About (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one

(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one (PubChem CID 130920569) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one.

Molecular Properties

Compound Name(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one
PubChem CID130920569
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one
SMILESCC1(C)[C@H]2CC[C@]1(C)C=CC(=O)N2
InChIInChI=1S/C11H17NO/c1-10(2)8-4-6-11(10,3)7-5-9(13)12-8/h5,7-8H,4,6H2,1-3H3,(H,12,13)/t8-,11-/m1/s1
InChIKeyIYARGDQGHRWRJY-LDYMZIIASA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbaldehyde
CID 22860440
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 66800691
(1S,3aS,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 71161580
(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 67651608
(3aS,3bS,9aR,9bR,11aS)-1-(cyclobutanecarbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 57117475
(1R,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,2'-oxolane]-7-one
CID 45482911
(1R,9aR,11aR)-1-(2-hydroxyethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 168911784
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,N,9a,11a-tetramethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 154584899
methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
CID 11002070
(5aR)-2,4,9a,11a-tetramethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 59904491
(1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione
CID 46882242
(3aS,3bS,9aR,9bR,11aS)-N-(1-bicyclo[2.2.1]heptanyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 57010953

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one?
The IUPAC name of (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one (CID 130920569) is (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one.
What is the SMILES notation for (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one?
The canonical SMILES for (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one is CC1(C)[C@H]2CC[C@]1(C)C=CC(=O)N2.
What is the InChIKey of (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one?
The InChIKey is IYARGDQGHRWRJY-LDYMZIIASA-N. The full InChI is InChI=1S/C11H17NO/c1-10(2)8-4-6-11(10,3)7-5-9(13)12-8/h5,7-8H,4,6H2,1-3H3,(H,12,13)/t8-,11-/m1/s1.
What are the key properties of (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one?
(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one is sourced from PubChem (CID 130920569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).