(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one

C12H19NO — CID 101378645

IUPAC(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one
SMILESC[C@@H]1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23
InChIInChI=1S/C12H19NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h8-9,11H,3-7H2,1-2H3/t8-,9-,11-,12+/m1/s1
InChIKeyDGDYFSZPIMRIOL-IQIPOGNMSA-N
MW193.29 g/mol
LogP1.70
Rot. Bonds

About (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one

(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one (PubChem CID 101378645) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one.

Molecular Properties

Compound Name(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one
PubChem CID101378645
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one
SMILESC[C@@H]1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23
InChIInChI=1S/C12H19NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h8-9,11H,3-7H2,1-2H3/t8-,9-,11-,12+/m1/s1
InChIKeyDGDYFSZPIMRIOL-IQIPOGNMSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The IUPAC name of (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one (CID 101378645) is (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one.
What is the SMILES notation for (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The canonical SMILES for (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one is C[C@@H]1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23.
What is the InChIKey of (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The InChIKey is DGDYFSZPIMRIOL-IQIPOGNMSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h8-9,11H,3-7H2,1-2H3/t8-,9-,11-,12+/m1/s1.
What are the key properties of (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one?
(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one has a molecular weight of 193.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one is sourced from PubChem (CID 101378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).