bicyclo[2.2.1]hepta-1,3-dien-2-ol

C7H8O — CID 70451649

IUPACbicyclo[2.2.1]hepta-1,3-dien-2-ol
SMILESOC1=C2CCC(=C1)C2
InChIInChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,8H,1-3H2
InChIKeyNGVLFGCPTAHPEP-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.92
Rot. Bonds

About bicyclo[2.2.1]hepta-1,3-dien-2-ol

bicyclo[2.2.1]hepta-1,3-dien-2-ol (PubChem CID 70451649) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3-dien-2-ol.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3-dien-2-ol
PubChem CID70451649
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namebicyclo[2.2.1]hepta-1,3-dien-2-ol
SMILESOC1=C2CCC(=C1)C2
InChIInChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,8H,1-3H2
InChIKeyNGVLFGCPTAHPEP-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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]hepta-1,3-dien-2-ol?
The IUPAC name of bicyclo[2.2.1]hepta-1,3-dien-2-ol (CID 70451649) is bicyclo[2.2.1]hepta-1,3-dien-2-ol.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3-dien-2-ol?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3-dien-2-ol is OC1=C2CCC(=C1)C2.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3-dien-2-ol?
The InChIKey is NGVLFGCPTAHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,8H,1-3H2.
What are the key properties of bicyclo[2.2.1]hepta-1,3-dien-2-ol?
bicyclo[2.2.1]hepta-1,3-dien-2-ol has a molecular weight of 108.14 g/mol, XLogP of 1.92, 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-1,3-dien-2-ol is sourced from PubChem (CID 70451649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).