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

C12H17NO — CID 11708200

IUPAC(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one
SMILESC=C1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23
InChIInChI=1S/C12H17NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h9,11H,1,3-7H2,2H3/t9-,11-,12+/m1/s1
InChIKeyWGYNQTULODFFRT-JLLWLGSASA-N
MW191.27 g/mol
LogP1.62
Rot. Bonds

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

(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one (PubChem CID 11708200) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one.

Molecular Properties

Compound Name(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one
PubChem CID11708200
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one
SMILESC=C1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23
InChIInChI=1S/C12H17NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h9,11H,1,3-7H2,2H3/t9-,11-,12+/m1/s1
InChIKeyWGYNQTULODFFRT-JLLWLGSASA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one with MolForge

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Related Compounds

(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one
CID 11514288
(5R,8aS)-5-tert-butyl-2-methylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 101260107
(1R,2S,7S,8R)-2,7-dimethyl-4-azatricyclo[5.2.2.04,8]undecan-10-one
CID 101378645
(1R,2S,11S,12R,13R)-2,12-dimethyl-4-azatetracyclo[9.3.1.04,13.06,12]pentadec-6-en-10-one
CID 60200939
(1R,2R,7S,8S)-2,7-dimethyl-6-methylidene-4-azatricyclo[5.2.2.04,8]undecan-11-one
CID 102222296
(1R,2R,11S,12R,13R)-2,12-dimethyl-4-azatetracyclo[9.3.1.04,13.06,12]pentadec-6-en-10-one
CID 102289134
(2R,7S)-2,7-dimethyl-6-methylidene-4-azatricyclo[5.2.2.04,8]undecan-11-one
CID 122398358
(1R,7S,8S)-2-ethyl-4-azatricyclo[5.2.2.04,8]undec-2-en-11-one
CID 132565697

Frequently Asked Questions

What is the IUPAC name of (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The IUPAC name of (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one (CID 11708200) is (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one.
What is the SMILES notation for (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The canonical SMILES for (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one is C=C1CN2CC[C@@]3(C)CC(=O)[C@@H]1C[C@@H]23.
What is the InChIKey of (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one?
The InChIKey is WGYNQTULODFFRT-JLLWLGSASA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-13-4-3-12(2)6-10(14)9(8)5-11(12)13/h9,11H,1,3-7H2,2H3/t9-,11-,12+/m1/s1.
What are the key properties of (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one?
(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one has a molecular weight of 191.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one is sourced from PubChem (CID 11708200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).