1-spiro[2.5]oct-7-en-5-ylethanone

C10H14O — CID 13097454

IUPAC1-spiro[2.5]oct-7-en-5-ylethanone
SMILESCC(=O)C1CC=CC2(CC2)C1
InChIInChI=1S/C10H14O/c1-8(11)9-3-2-4-10(7-9)5-6-10/h2,4,9H,3,5-7H2,1H3
InChIKeyBUEVTKICHLLUDN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds1

About 1-spiro[2.5]oct-7-en-5-ylethanone

1-spiro[2.5]oct-7-en-5-ylethanone (PubChem CID 13097454) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-spiro[2.5]oct-7-en-5-ylethanone.

Molecular Properties

Compound Name1-spiro[2.5]oct-7-en-5-ylethanone
PubChem CID13097454
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-spiro[2.5]oct-7-en-5-ylethanone
SMILESCC(=O)C1CC=CC2(CC2)C1
InChIInChI=1S/C10H14O/c1-8(11)9-3-2-4-10(7-9)5-6-10/h2,4,9H,3,5-7H2,1H3
InChIKeyBUEVTKICHLLUDN-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.32
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 1-spiro[2.5]oct-7-en-5-ylethanone?
The IUPAC name of 1-spiro[2.5]oct-7-en-5-ylethanone (CID 13097454) is 1-spiro[2.5]oct-7-en-5-ylethanone.
What is the SMILES notation for 1-spiro[2.5]oct-7-en-5-ylethanone?
The canonical SMILES for 1-spiro[2.5]oct-7-en-5-ylethanone is CC(=O)C1CC=CC2(CC2)C1.
What is the InChIKey of 1-spiro[2.5]oct-7-en-5-ylethanone?
The InChIKey is BUEVTKICHLLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8(11)9-3-2-4-10(7-9)5-6-10/h2,4,9H,3,5-7H2,1H3.
What are the key properties of 1-spiro[2.5]oct-7-en-5-ylethanone?
1-spiro[2.5]oct-7-en-5-ylethanone has a molecular weight of 150.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2.5]oct-7-en-5-ylethanone is sourced from PubChem (CID 13097454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).