1-spiro[3.5]nonan-2-ylidenepropan-2-one

C12H18O — CID 130030903

IUPAC1-spiro[3.5]nonan-2-ylidenepropan-2-one
SMILESCC(=O)C=C1CC2(CCCCC2)C1
InChIInChI=1S/C12H18O/c1-10(13)7-11-8-12(9-11)5-3-2-4-6-12/h7H,2-6,8-9H2,1H3
InChIKeyUDOOBMQROOKRAO-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.25
Rot. Bonds1

About 1-spiro[3.5]nonan-2-ylidenepropan-2-one

1-spiro[3.5]nonan-2-ylidenepropan-2-one (PubChem CID 130030903) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-spiro[3.5]nonan-2-ylidenepropan-2-one.

Molecular Properties

Compound Name1-spiro[3.5]nonan-2-ylidenepropan-2-one
PubChem CID130030903
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1-spiro[3.5]nonan-2-ylidenepropan-2-one
SMILESCC(=O)C=C1CC2(CCCCC2)C1
InChIInChI=1S/C12H18O/c1-10(13)7-11-8-12(9-11)5-3-2-4-6-12/h7H,2-6,8-9H2,1H3
InChIKeyUDOOBMQROOKRAO-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[3.5]nonan-2-ylidenepropan-2-one?
The IUPAC name of 1-spiro[3.5]nonan-2-ylidenepropan-2-one (CID 130030903) is 1-spiro[3.5]nonan-2-ylidenepropan-2-one.
What is the SMILES notation for 1-spiro[3.5]nonan-2-ylidenepropan-2-one?
The canonical SMILES for 1-spiro[3.5]nonan-2-ylidenepropan-2-one is CC(=O)C=C1CC2(CCCCC2)C1.
What is the InChIKey of 1-spiro[3.5]nonan-2-ylidenepropan-2-one?
The InChIKey is UDOOBMQROOKRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10(13)7-11-8-12(9-11)5-3-2-4-6-12/h7H,2-6,8-9H2,1H3.
What are the key properties of 1-spiro[3.5]nonan-2-ylidenepropan-2-one?
1-spiro[3.5]nonan-2-ylidenepropan-2-one has a molecular weight of 178.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[3.5]nonan-2-ylidenepropan-2-one is sourced from PubChem (CID 130030903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).