1,3-dihydroxybicyclo[2.2.1]heptan-2-one

C7H10O3 — CID 166746967

IUPAC1,3-dihydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C(O)C2CCC1(O)C2
InChIInChI=1S/C7H10O3/c8-5-4-1-2-7(10,3-4)6(5)9/h4-5,8,10H,1-3H2
InChIKeyHITCKCQXLGIOJZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.54
Rot. Bonds

About 1,3-dihydroxybicyclo[2.2.1]heptan-2-one

1,3-dihydroxybicyclo[2.2.1]heptan-2-one (PubChem CID 166746967) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1,3-dihydroxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,3-dihydroxybicyclo[2.2.1]heptan-2-one
PubChem CID166746967
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1,3-dihydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C(O)C2CCC1(O)C2
InChIInChI=1S/C7H10O3/c8-5-4-1-2-7(10,3-4)6(5)9/h4-5,8,10H,1-3H2
InChIKeyHITCKCQXLGIOJZ-UHFFFAOYSA-N
XLogP-0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,3-dihydroxybicyclo[2.2.1]heptan-2-one (CID 166746967) is 1,3-dihydroxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,3-dihydroxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,3-dihydroxybicyclo[2.2.1]heptan-2-one is O=C1C(O)C2CCC1(O)C2.
What is the InChIKey of 1,3-dihydroxybicyclo[2.2.1]heptan-2-one?
The InChIKey is HITCKCQXLGIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-5-4-1-2-7(10,3-4)6(5)9/h4-5,8,10H,1-3H2.
What are the key properties of 1,3-dihydroxybicyclo[2.2.1]heptan-2-one?
1,3-dihydroxybicyclo[2.2.1]heptan-2-one has a molecular weight of 142.15 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 166746967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).