(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one

C16H24NO+ — CID 11065883

IUPAC(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one
SMILESC[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N+]4=CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H24NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h6,11-14H,2-5,7-10H2,1H3/q+1/t11-,12+,13-,14-,16-/m1/s1
InChIKeyXHHBWADSISPGHY-JTTNIQEDSA-N
MW246.37 g/mol
LogP2.65
Rot. Bonds

About (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one

(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one (PubChem CID 11065883) has the molecular formula C16H24NO+ and a molecular weight of 246.37 g/mol. Its IUPAC name is (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one.

Molecular Properties

Compound Name(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one
PubChem CID11065883
Molecular FormulaC16H24NO+
Molecular Weight246.37 g/mol
Exact Mass246.19
IUPAC Name(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one
SMILESC[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N+]4=CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H24NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h6,11-14H,2-5,7-10H2,1H3/q+1/t11-,12+,13-,14-,16-/m1/s1
InChIKeyXHHBWADSISPGHY-JTTNIQEDSA-N
XLogP2.65
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one?
The IUPAC name of (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one (CID 11065883) is (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one.
What is the SMILES notation for (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one?
The canonical SMILES for (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one is C[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N+]4=CCC[C@H]2[C@]34C1.
What is the InChIKey of (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one?
The InChIKey is XHHBWADSISPGHY-JTTNIQEDSA-N. The full InChI is InChI=1S/C16H24NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h6,11-14H,2-5,7-10H2,1H3/q+1/t11-,12+,13-,14-,16-/m1/s1.
What are the key properties of (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one?
(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one has a molecular weight of 246.37 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one is sourced from PubChem (CID 11065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).