1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one

C11H18N2O — CID 2750624

IUPAC1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
SMILESCC1(C)C2CCC1(C)C1NC(=O)NC21
InChIInChI=1S/C11H18N2O/c1-10(2)6-4-5-11(10,3)8-7(6)12-9(14)13-8/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyLMMABUVLJKVRDI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds

About 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one

1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 2750624) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
PubChem CID2750624
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
SMILESCC1(C)C2CCC1(C)C1NC(=O)NC21
InChIInChI=1S/C11H18N2O/c1-10(2)6-4-5-11(10,3)8-7(6)12-9(14)13-8/h6-8H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyLMMABUVLJKVRDI-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-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

(1R,7R)-1,10,10-trimethyl-4-(4-methylphenyl)-3,4-diazatricyclo[5.2.1.02,6]decan-5-one
CID 70955730
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1R,4R)-3,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-one
CID 130754394
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1R,3S,4S)-3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 76963025
CID 136835222
CID 136835222
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012
(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141201172
(1R,3S,4S)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 98545590

Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one (CID 2750624) is 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one is CC1(C)C2CCC1(C)C1NC(=O)NC21.
What is the InChIKey of 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is LMMABUVLJKVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)6-4-5-11(10,3)8-7(6)12-9(14)13-8/h6-8H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 2750624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).