bicyclo[2.2.1]heptan-1-ol

C7H12O — CID 524266

IUPACbicyclo[2.2.1]heptan-1-ol
SMILESOC12CCC(CC1)C2
InChIInChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2
InChIKeyNIZFPIBTGJOVRT-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.31
Rot. Bonds

About bicyclo[2.2.1]heptan-1-ol

bicyclo[2.2.1]heptan-1-ol (PubChem CID 524266) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is bicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Namebicyclo[2.2.1]heptan-1-ol
PubChem CID524266
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namebicyclo[2.2.1]heptan-1-ol
SMILESOC12CCC(CC1)C2
InChIInChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2
InChIKeyNIZFPIBTGJOVRT-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptan-1-ol?
The IUPAC name of bicyclo[2.2.1]heptan-1-ol (CID 524266) is bicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for bicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for bicyclo[2.2.1]heptan-1-ol is OC12CCC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]heptan-1-ol?
The InChIKey is NIZFPIBTGJOVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2.
What are the key properties of bicyclo[2.2.1]heptan-1-ol?
bicyclo[2.2.1]heptan-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 524266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).