4-methoxybicyclo[3.2.1]oct-3-en-2-one

C9H12O2 — CID 130029036

IUPAC4-methoxybicyclo[3.2.1]oct-3-en-2-one
SMILESCOC1=CC(=O)C2CCC1C2
InChIInChI=1S/C9H12O2/c1-11-9-5-8(10)6-2-3-7(9)4-6/h5-7H,2-4H2,1H3
InChIKeyIAASDKUPLJKARP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.52
Rot. Bonds1

About 4-methoxybicyclo[3.2.1]oct-3-en-2-one

4-methoxybicyclo[3.2.1]oct-3-en-2-one (PubChem CID 130029036) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-methoxybicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name4-methoxybicyclo[3.2.1]oct-3-en-2-one
PubChem CID130029036
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-methoxybicyclo[3.2.1]oct-3-en-2-one
SMILESCOC1=CC(=O)C2CCC1C2
InChIInChI=1S/C9H12O2/c1-11-9-5-8(10)6-2-3-7(9)4-6/h5-7H,2-4H2,1H3
InChIKeyIAASDKUPLJKARP-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 4-methoxybicyclo[3.2.1]oct-3-en-2-one (CID 130029036) is 4-methoxybicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 4-methoxybicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 4-methoxybicyclo[3.2.1]oct-3-en-2-one is COC1=CC(=O)C2CCC1C2.
What is the InChIKey of 4-methoxybicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is IAASDKUPLJKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9-5-8(10)6-2-3-7(9)4-6/h5-7H,2-4H2,1H3.
What are the key properties of 4-methoxybicyclo[3.2.1]oct-3-en-2-one?
4-methoxybicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 130029036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).