5-methoxybicyclo[2.2.1]heptan-2-one

C8H12O2 — CID 14020380

IUPAC5-methoxybicyclo[2.2.1]heptan-2-one
SMILESCOC1CC2CC1CC2=O
InChIInChI=1S/C8H12O2/c1-10-8-4-5-2-6(8)3-7(5)9/h5-6,8H,2-4H2,1H3
InChIKeyJJAZPXZSNVRJPC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.00
Rot. Bonds1

About 5-methoxybicyclo[2.2.1]heptan-2-one

5-methoxybicyclo[2.2.1]heptan-2-one (PubChem CID 14020380) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methoxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name5-methoxybicyclo[2.2.1]heptan-2-one
PubChem CID14020380
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methoxybicyclo[2.2.1]heptan-2-one
SMILESCOC1CC2CC1CC2=O
InChIInChI=1S/C8H12O2/c1-10-8-4-5-2-6(8)3-7(5)9/h5-6,8H,2-4H2,1H3
InChIKeyJJAZPXZSNVRJPC-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 5-methoxybicyclo[2.2.1]heptan-2-one (CID 14020380) is 5-methoxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 5-methoxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 5-methoxybicyclo[2.2.1]heptan-2-one is COC1CC2CC1CC2=O.
What is the InChIKey of 5-methoxybicyclo[2.2.1]heptan-2-one?
The InChIKey is JJAZPXZSNVRJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-4-5-2-6(8)3-7(5)9/h5-6,8H,2-4H2,1H3.
What are the key properties of 5-methoxybicyclo[2.2.1]heptan-2-one?
5-methoxybicyclo[2.2.1]heptan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 14020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).