(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one

C11H17NO — CID 98156442

IUPAC(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
SMILESCN1[C@@H]2CC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-12-10-5-9(13)6-11(12)8-3-2-7(10)4-8/h7-8,10-11H,2-6H2,1H3/t7-,8-,10-,11-/m1/s1
InChIKeyDUINGRBTGMDCEY-YJFSRANCSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds

About (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one

(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one (PubChem CID 98156442) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one.

Molecular Properties

Compound Name(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
PubChem CID98156442
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
SMILESCN1[C@@H]2CC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-12-10-5-9(13)6-11(12)8-3-2-7(10)4-8/h7-8,10-11H,2-6H2,1H3/t7-,8-,10-,11-/m1/s1
InChIKeyDUINGRBTGMDCEY-YJFSRANCSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98518623
11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
CID 121222238
(1R,5R,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98398544
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 148604993
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
bicyclo[3.2.0]heptan-3-one
CID 12550422
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
CID 573423
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 45357850

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one?
The IUPAC name of (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one (CID 98156442) is (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one.
What is the SMILES notation for (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one?
The canonical SMILES for (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one is CN1[C@@H]2CC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1.
What is the InChIKey of (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one?
The InChIKey is DUINGRBTGMDCEY-YJFSRANCSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-10-5-9(13)6-11(12)8-3-2-7(10)4-8/h7-8,10-11H,2-6H2,1H3/t7-,8-,10-,11-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one?
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one has a molecular weight of 179.26 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one is sourced from PubChem (CID 98156442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).