1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone

C11H14O — CID 45086233

IUPAC1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone
SMILESCC(=O)C1CC2C=CC=CC1C2
InChIInChI=1S/C11H14O/c1-8(12)11-7-9-4-2-3-5-10(11)6-9/h2-5,9-11H,6-7H2,1H3
InChIKeyYVVLJAXIGUBRTL-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.34
Rot. Bonds1

About 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone

1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone (PubChem CID 45086233) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone
PubChem CID45086233
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone
SMILESCC(=O)C1CC2C=CC=CC1C2
InChIInChI=1S/C11H14O/c1-8(12)11-7-9-4-2-3-5-10(11)6-9/h2-5,9-11H,6-7H2,1H3
InChIKeyYVVLJAXIGUBRTL-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone?
The IUPAC name of 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone (CID 45086233) is 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone.
What is the SMILES notation for 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone?
The canonical SMILES for 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone is CC(=O)C1CC2C=CC=CC1C2.
What is the InChIKey of 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone?
The InChIKey is YVVLJAXIGUBRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(12)11-7-9-4-2-3-5-10(11)6-9/h2-5,9-11H,6-7H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone?
1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone has a molecular weight of 162.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone is sourced from PubChem (CID 45086233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).