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

C14H22O — CID 116538621

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
SMILESCC1(CC2CC3CCC2C3)CCC(=O)C1
InChIInChI=1S/C14H22O/c1-14(5-4-13(15)9-14)8-12-7-10-2-3-11(12)6-10/h10-12H,2-9H2,1H3
InChIKeyAKCSCQNOZWPDDX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds2

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

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one (PubChem CID 116538621) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
PubChem CID116538621
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
SMILESCC1(CC2CC3CCC2C3)CCC(=O)C1
InChIInChI=1S/C14H22O/c1-14(5-4-13(15)9-14)8-12-7-10-2-3-11(12)6-10/h10-12H,2-9H2,1H3
InChIKeyAKCSCQNOZWPDDX-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
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)-3-methylcyclopentan-1-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one (CID 116538621) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one is CC1(CC2CC3CCC2C3)CCC(=O)C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one?
The InChIKey is AKCSCQNOZWPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(5-4-13(15)9-14)8-12-7-10-2-3-11(12)6-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.57, 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)-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).