1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one

C11H16O — CID 67987411

IUPAC1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one
SMILESCC(=O)CC12CC3CC(C1)C3C2
InChIInChI=1S/C11H16O/c1-7(12)3-11-4-8-2-9(5-11)10(8)6-11/h8-10H,2-6H2,1H3
InChIKeyOWOARYLYYHNWDE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds2

About 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one

1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one (PubChem CID 67987411) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one.

Molecular Properties

Compound Name1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one
PubChem CID67987411
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one
SMILESCC(=O)CC12CC3CC(C1)C3C2
InChIInChI=1S/C11H16O/c1-7(12)3-11-4-8-2-9(5-11)10(8)6-11/h8-10H,2-6H2,1H3
InChIKeyOWOARYLYYHNWDE-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-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

1-(1-adamantyl)propan-2-one;methane
CID 157057031
2-[5-(2-oxopropyl)-2-adamantyl]isoindole-1,3-dione
CID 152975877
1-tricyclo[3.2.1.03,6]octanyl 2-methylprop-2-enoate
CID 139921218
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
iodo 5-(2-methoxy-2-oxoethyl)adamantane-2-carboxylate
CID 146557860
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]pentane-1,4-dione
CID 108534561
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
CID 178148401
N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 84867892
1-[(2R,6S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]propan-2-one
CID 131175637
(1S,3R,6R)-3-methyl-3-(2-oxopropyl)bicyclo[4.1.0]heptan-2-one
CID 10631224
2-(1-adamantyl)-1-(2,2,3,3,4,4,5,5,6,6-decamethylpiperidin-1-yl)ethanone
CID 3313801

Frequently Asked Questions

What is the IUPAC name of 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one?
The IUPAC name of 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one (CID 67987411) is 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one.
What is the SMILES notation for 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one?
The canonical SMILES for 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one is CC(=O)CC12CC3CC(C1)C3C2.
What is the InChIKey of 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one?
The InChIKey is OWOARYLYYHNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7(12)3-11-4-8-2-9(5-11)10(8)6-11/h8-10H,2-6H2,1H3.
What are the key properties of 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one?
1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tricyclo[3.2.1.03,6]octanyl)propan-2-one is sourced from PubChem (CID 67987411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).