bicyclo[2.2.1]hepta-2,5-dien-7-ol

C7H8O — CID 13200

IUPACbicyclo[2.2.1]hepta-2,5-dien-7-ol
SMILESOC1C2C=CC1C=C2
InChIInChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-8H
InChIKeyYKRVEGFRYRZTEY-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.72
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-dien-7-ol

bicyclo[2.2.1]hepta-2,5-dien-7-ol (PubChem CID 13200) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-dien-7-ol.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-dien-7-ol
PubChem CID13200
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namebicyclo[2.2.1]hepta-2,5-dien-7-ol
SMILESOC1C2C=CC1C=C2
InChIInChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-8H
InChIKeyYKRVEGFRYRZTEY-UHFFFAOYSA-N
XLogP0.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-dien-7-ol?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-dien-7-ol (CID 13200) is bicyclo[2.2.1]hepta-2,5-dien-7-ol.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-dien-7-ol?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-dien-7-ol is OC1C2C=CC1C=C2.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-dien-7-ol?
The InChIKey is YKRVEGFRYRZTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-8H.
What are the key properties of bicyclo[2.2.1]hepta-2,5-dien-7-ol?
bicyclo[2.2.1]hepta-2,5-dien-7-ol has a molecular weight of 108.14 g/mol, XLogP of 0.72, 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]hepta-2,5-dien-7-ol is sourced from PubChem (CID 13200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).