3-hydroxybicyclo[2.2.1]heptan-2-one

C7H10O2 — CID 12732766

IUPAC3-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1O
InChIInChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2
InChIKeyLHQWPNKPOSHHJA-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.35
Rot. Bonds

About 3-hydroxybicyclo[2.2.1]heptan-2-one

3-hydroxybicyclo[2.2.1]heptan-2-one (PubChem CID 12732766) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-hydroxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-hydroxybicyclo[2.2.1]heptan-2-one
PubChem CID12732766
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name3-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1O
InChIInChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2
InChIKeyLHQWPNKPOSHHJA-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-hydroxybicyclo[2.2.1]heptan-2-one (CID 12732766) is 3-hydroxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-hydroxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-hydroxybicyclo[2.2.1]heptan-2-one is O=C1C2CCC(C2)C1O.
What is the InChIKey of 3-hydroxybicyclo[2.2.1]heptan-2-one?
The InChIKey is LHQWPNKPOSHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2.
What are the key properties of 3-hydroxybicyclo[2.2.1]heptan-2-one?
3-hydroxybicyclo[2.2.1]heptan-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 12732766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).