1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one

C10H16O2 — CID 130036822

IUPAC1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
SMILESCC(=O)CC1(O)CC2CCC1C2
InChIInChI=1S/C10H16O2/c1-7(11)5-10(12)6-8-2-3-9(10)4-8/h8-9,12H,2-6H2,1H3
InChIKeyLASCHOJFBHJMRC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one

1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one (PubChem CID 130036822) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
PubChem CID130036822
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
SMILESCC(=O)CC1(O)CC2CCC1C2
InChIInChI=1S/C10H16O2/c1-7(11)5-10(12)6-8-2-3-9(10)4-8/h8-9,12H,2-6H2,1H3
InChIKeyLASCHOJFBHJMRC-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one?
The IUPAC name of 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one (CID 130036822) is 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one?
The canonical SMILES for 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one is CC(=O)CC1(O)CC2CCC1C2.
What is the InChIKey of 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one?
The InChIKey is LASCHOJFBHJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)5-10(12)6-8-2-3-9(10)4-8/h8-9,12H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one?
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one is sourced from PubChem (CID 130036822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).