bicyclo[2.2.1]hept-3-en-2-one

C7H8O — CID 175394902

IUPACbicyclo[2.2.1]hept-3-en-2-one
SMILESO=C1C=C2CCC1C2
InChIInChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,6H,1-3H2
InChIKeyZJEBRCDXKCJFDF-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.30
Rot. Bonds

About bicyclo[2.2.1]hept-3-en-2-one

bicyclo[2.2.1]hept-3-en-2-one (PubChem CID 175394902) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-3-en-2-one.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-3-en-2-one
PubChem CID175394902
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namebicyclo[2.2.1]hept-3-en-2-one
SMILESO=C1C=C2CCC1C2
InChIInChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,6H,1-3H2
InChIKeyZJEBRCDXKCJFDF-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carvone, (+)-
CID 16724
Carvone, (+-)-
CID 7439
Carvone, (-)-
CID 439570
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139
4-Acetyl-1-methylcyclohexene
CID 93019
3,5-Dimethylcyclohex-2-en-1-one
CID 14291
(6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-one
CID 439733
Isopiperitenone
CID 79036
Turmerone
CID 14367555
3,4-Dimethylcyclopent-2-en-1-one
CID 121710
1-Acetyl-4-isopropenylcyclopentene
CID 12634575
Homocamfin
CID 222994

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-3-en-2-one?
The IUPAC name of bicyclo[2.2.1]hept-3-en-2-one (CID 175394902) is bicyclo[2.2.1]hept-3-en-2-one.
What is the SMILES notation for bicyclo[2.2.1]hept-3-en-2-one?
The canonical SMILES for bicyclo[2.2.1]hept-3-en-2-one is O=C1C=C2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-3-en-2-one?
The InChIKey is ZJEBRCDXKCJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h4,6H,1-3H2.
What are the key properties of bicyclo[2.2.1]hept-3-en-2-one?
bicyclo[2.2.1]hept-3-en-2-one has a molecular weight of 108.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-3-en-2-one is sourced from PubChem (CID 175394902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).