(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one

C14H23NO — CID 90662195

IUPAC(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one
SMILESCC(C)C[C@@]12CC3CCC(CNC1=O)[C@]32C
InChIInChI=1S/C14H23NO/c1-9(2)6-14-7-10-4-5-11(13(10,14)3)8-15-12(14)16/h9-11H,4-8H2,1-3H3,(H,15,16)/t10?,11?,13-,14+/m0/s1
InChIKeyCVXGDFQPURMPGD-DZYMPVBWSA-N
MW221.34 g/mol
LogP2.58
Rot. Bonds2

About (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one

(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one (PubChem CID 90662195) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one.

Molecular Properties

Compound Name(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one
PubChem CID90662195
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one
SMILESCC(C)C[C@@]12CC3CCC(CNC1=O)[C@]32C
InChIInChI=1S/C14H23NO/c1-9(2)6-14-7-10-4-5-11(13(10,14)3)8-15-12(14)16/h9-11H,4-8H2,1-3H3,(H,15,16)/t10?,11?,13-,14+/m0/s1
InChIKeyCVXGDFQPURMPGD-DZYMPVBWSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-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

Frequently Asked Questions

What is the IUPAC name of (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one?
The IUPAC name of (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one (CID 90662195) is (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one.
What is the SMILES notation for (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one?
The canonical SMILES for (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one is CC(C)C[C@@]12CC3CCC(CNC1=O)[C@]32C.
What is the InChIKey of (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one?
The InChIKey is CVXGDFQPURMPGD-DZYMPVBWSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)6-14-7-10-4-5-11(13(10,14)3)8-15-12(14)16/h9-11H,4-8H2,1-3H3,(H,15,16)/t10?,11?,13-,14+/m0/s1.
What are the key properties of (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one?
(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one has a molecular weight of 221.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one is sourced from PubChem (CID 90662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).