(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one

C11H14O — CID 130891457

IUPAC(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC1CC(=O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O/c1-6-4-9(12)11-8-3-2-7(5-8)10(6)11/h2-3,6-8,10-11H,4-5H2,1H3/t6?,7-,8+,10?,11?/m1/s1
InChIKeyVCBQYXGCNKTPHX-BCMKMETASA-N
MW162.23 g/mol
LogP2.03
Rot. Bonds

About (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 130891457) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID130891457
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCC1CC(=O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O/c1-6-4-9(12)11-8-3-2-7(5-8)10(6)11/h2-3,6-8,10-11H,4-5H2,1H3/t6?,7-,8+,10?,11?/m1/s1
InChIKeyVCBQYXGCNKTPHX-BCMKMETASA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.03
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,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one (CID 130891457) is (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one is CC1CC(=O)C2C1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is VCBQYXGCNKTPHX-BCMKMETASA-N. The full InChI is InChI=1S/C11H14O/c1-6-4-9(12)11-8-3-2-7(5-8)10(6)11/h2-3,6-8,10-11H,4-5H2,1H3/t6?,7-,8+,10?,11?/m1/s1.
What are the key properties of (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 162.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 130891457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).