(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one

C10H14O — CID 102175819

IUPAC(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1
InChIInChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2/t6-,7+,9+,10-
InChIKeyAPOQIAWUQHCHQI-SWOGREBESA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one

(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one (PubChem CID 102175819) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
PubChem CID102175819
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1
InChIInChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2/t6-,7+,9+,10-
InChIKeyAPOQIAWUQHCHQI-SWOGREBESA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R,6S,7R)-tricyclo[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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one (CID 102175819) is (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one is O=C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1.
What is the InChIKey of (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is APOQIAWUQHCHQI-SWOGREBESA-N. The full InChI is InChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2/t6-,7+,9+,10-.
What are the key properties of (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one?
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 102175819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).