3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one

C15H22O — CID 107382914

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=C(CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H22O/c16-15-4-2-1-3-11(10-15)8-14-9-12-5-6-13(14)7-12/h10,12-14H,1-9H2
InChIKeyJWLWLNIWMZDQTG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one

3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one (PubChem CID 107382914) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one
PubChem CID107382914
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=C(CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H22O/c16-15-4-2-1-3-11(10-15)8-14-9-12-5-6-13(14)7-12/h10,12-14H,1-9H2
InChIKeyJWLWLNIWMZDQTG-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one (CID 107382914) is 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one is O=C1C=C(CC2CC3CCC2C3)CCCC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one?
The InChIKey is JWLWLNIWMZDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c16-15-4-2-1-3-11(10-15)8-14-9-12-5-6-13(14)7-12/h10,12-14H,1-9H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)cyclohept-2-en-1-one is sourced from PubChem (CID 107382914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).