(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one

C12H17NO — CID 146161884

IUPAC(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one
SMILESC=C1CN2CCC[C@@]23CCC(=O)[C@@H]1C3
InChIInChI=1S/C12H17NO/c1-9-8-13-6-2-4-12(13)5-3-11(14)10(9)7-12/h10H,1-8H2/t10-,12+/m1/s1
InChIKeyDPEDQPVSZWXBRS-PWSUYJOCSA-N
MW191.27 g/mol
LogP1.76
Rot. Bonds

About (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one

(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one (PubChem CID 146161884) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one.

Molecular Properties

Compound Name(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one
PubChem CID146161884
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one
SMILESC=C1CN2CCC[C@@]23CCC(=O)[C@@H]1C3
InChIInChI=1S/C12H17NO/c1-9-8-13-6-2-4-12(13)5-3-11(14)10(9)7-12/h10H,1-8H2/t10-,12+/m1/s1
InChIKeyDPEDQPVSZWXBRS-PWSUYJOCSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one
CID 11514288
(7S,10aS)-6-vinylidenehexahydro-3H-7,10a-methanopyrrolo[1,2-a]azocine-3,8(5H)-dione
CID 168354738
7,7-Dimethyl-11-methylene-6-azatricyclo[6.3.1.0(2,6)]dodecan-5-one
CID 564829
7-Methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one
CID 101758862

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one?
The IUPAC name of (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one (CID 146161884) is (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one.
What is the SMILES notation for (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one?
The canonical SMILES for (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one is C=C1CN2CCC[C@@]23CCC(=O)[C@@H]1C3.
What is the InChIKey of (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one?
The InChIKey is DPEDQPVSZWXBRS-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-8-13-6-2-4-12(13)5-3-11(14)10(9)7-12/h10H,1-8H2/t10-,12+/m1/s1.
What are the key properties of (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one?
(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one has a molecular weight of 191.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one is sourced from PubChem (CID 146161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).