(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one

C7H11NO — CID 164585640

IUPAC(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESC[C@@H]1CC2C[C@H]1NC2=O
InChIInChI=1S/C7H11NO/c1-4-2-5-3-6(4)8-7(5)9/h4-6H,2-3H2,1H3,(H,8,9)/t4-,5?,6-/m1/s1
InChIKeyKOGBYHZOPFCFEA-SPWIIUKKSA-N
MW125.17 g/mol
LogP0.53
Rot. Bonds

About (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one

(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 164585640) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID164585640
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESC[C@@H]1CC2C[C@H]1NC2=O
InChIInChI=1S/C7H11NO/c1-4-2-5-3-6(4)8-7(5)9/h4-6H,2-3H2,1H3,(H,8,9)/t4-,5?,6-/m1/s1
InChIKeyKOGBYHZOPFCFEA-SPWIIUKKSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 130898747
4-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 66804290
(1S,4S,5S)-4-iodo-6-azabicyclo[3.2.1]octan-7-one
CID 11514335
6-(4-chlorophenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 75164423
5-methoxy-2-azabicyclo[2.2.0]hexan-3-one
CID 13437990
(1R,4R,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-3-one
CID 170198577
4-(3,4-dimethylcyclohexyl)cyclohex-3-en-1-one
CID 83262378
(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 131041871
4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
CID 176748808
(3S,5aS,9aS)-3-methyl-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,4]oxazepin-2-one
CID 131086035
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
5-methyl-3-azabicyclo[5.2.1]decan-10-one
CID 143710984

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one (CID 164585640) is (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one is C[C@@H]1CC2C[C@H]1NC2=O.
What is the InChIKey of (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is KOGBYHZOPFCFEA-SPWIIUKKSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-2-5-3-6(4)8-7(5)9/h4-6H,2-3H2,1H3,(H,8,9)/t4-,5?,6-/m1/s1.
What are the key properties of (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one?
(1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 164585640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).