(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one

C7H10O2 — CID 10887906

IUPAC(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1[C@@H]2CC[C@@H](C2)[C@H]1O
InChIInChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyLHQWPNKPOSHHJA-KVQBGUIXSA-N
MW126.16 g/mol
LogP0.35
Rot. Bonds

About (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one

(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one (PubChem CID 10887906) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
PubChem CID10887906
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1[C@@H]2CC[C@@H](C2)[C@H]1O
InChIInChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyLHQWPNKPOSHHJA-KVQBGUIXSA-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 (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one (CID 10887906) is (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one is O=C1[C@@H]2CC[C@@H](C2)[C@H]1O.
What is the InChIKey of (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one?
The InChIKey is LHQWPNKPOSHHJA-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h4-6,8H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one?
(1R,3R,4S)-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 (1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 10887906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).