(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one

C10H12O — CID 10855626

IUPAC(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10H,3-5H2/t6-,7+,8-,10+/m1/s1
InChIKeyNDZKBCKGQBZZFM-JIOCBJNQSA-N
MW148.21 g/mol
LogP1.79
Rot. Bonds

About (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 10855626) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID10855626
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10H,3-5H2/t6-,7+,8-,10+/m1/s1
InChIKeyNDZKBCKGQBZZFM-JIOCBJNQSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one (CID 10855626) is (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is NDZKBCKGQBZZFM-JIOCBJNQSA-N. The full InChI is InChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10H,3-5H2/t6-,7+,8-,10+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 148.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 10855626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).