10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one

C11H17NO — CID 134965168

IUPAC10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESCC1(C)C2CCC1C1C(=O)NCC12
InChIInChI=1S/C11H17NO/c1-11(2)7-3-4-8(11)9-6(7)5-12-10(9)13/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyHTSDSKPQDNLVJS-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.41
Rot. Bonds

About 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one

10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 134965168) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one
PubChem CID134965168
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESCC1(C)C2CCC1C1C(=O)NCC12
InChIInChI=1S/C11H17NO/c1-11(2)7-3-4-8(11)9-6(7)5-12-10(9)13/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyHTSDSKPQDNLVJS-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo[2.2.1]heptane-2-carboxylic acid isobutyl-amide
CID 565668
N-butylbicyclo[2.2.1]heptane-2-carboxamide
CID 4986879
Octahydro-1H-4,7-methanoisoindol-1-one
CID 25073258
(3aS,6aR)-spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[b]pyrrole-4,1'-cyclopentane]-2-one
CID 371274
n-Heptylbicyclo[2.2.1]heptane-2-carboxamide
CID 598367
N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 4341540
10-Ethynyl-4-azatricyclo[5.2.1.02,6]decan-3-one
CID 130019616
10-Ethynyl-10-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one
CID 134943569
(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 139213960
(1S,5R,7R)-10,10-dimethyl-4-azatricyclo[5.2.1.01,5]decan-3-one
CID 176426287
2-N,3-N-diethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 428720
2-N,3-N-dipropylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 428721

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one (CID 134965168) is 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one is CC1(C)C2CCC1C1C(=O)NCC12.
What is the InChIKey of 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is HTSDSKPQDNLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)7-3-4-8(11)9-6(7)5-12-10(9)13/h6-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-azatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 134965168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).