7-methylbicyclo[2.2.1]hept-5-en-2-one

C8H10O — CID 23404563

IUPAC7-methylbicyclo[2.2.1]hept-5-en-2-one
SMILESCC1C2C=CC1C(=O)C2
InChIInChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-3,5-7H,4H2,1H3
InChIKeySFXVPQBOOXSWGG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds

About 7-methylbicyclo[2.2.1]hept-5-en-2-one

7-methylbicyclo[2.2.1]hept-5-en-2-one (PubChem CID 23404563) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-methylbicyclo[2.2.1]hept-5-en-2-one.

Molecular Properties

Compound Name7-methylbicyclo[2.2.1]hept-5-en-2-one
PubChem CID23404563
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name7-methylbicyclo[2.2.1]hept-5-en-2-one
SMILESCC1C2C=CC1C(=O)C2
InChIInChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-3,5-7H,4H2,1H3
InChIKeySFXVPQBOOXSWGG-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
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 7-methylbicyclo[2.2.1]hept-5-en-2-one?
The IUPAC name of 7-methylbicyclo[2.2.1]hept-5-en-2-one (CID 23404563) is 7-methylbicyclo[2.2.1]hept-5-en-2-one.
What is the SMILES notation for 7-methylbicyclo[2.2.1]hept-5-en-2-one?
The canonical SMILES for 7-methylbicyclo[2.2.1]hept-5-en-2-one is CC1C2C=CC1C(=O)C2.
What is the InChIKey of 7-methylbicyclo[2.2.1]hept-5-en-2-one?
The InChIKey is SFXVPQBOOXSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-3,5-7H,4H2,1H3.
What are the key properties of 7-methylbicyclo[2.2.1]hept-5-en-2-one?
7-methylbicyclo[2.2.1]hept-5-en-2-one has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[2.2.1]hept-5-en-2-one is sourced from PubChem (CID 23404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).