2-cycloheptyl-1-(furan-3-yl)ethanone

C13H18O2 — CID 114971700

IUPAC2-cycloheptyl-1-(furan-3-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1ccoc1
InChIInChI=1S/C13H18O2/c14-13(12-7-8-15-10-12)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2
InChIKeyHUNKSGJIROMCNJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.82
Rot. Bonds3

About 2-cycloheptyl-1-(furan-3-yl)ethanone

2-cycloheptyl-1-(furan-3-yl)ethanone (PubChem CID 114971700) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-cycloheptyl-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(furan-3-yl)ethanone
PubChem CID114971700
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-cycloheptyl-1-(furan-3-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1ccoc1
InChIInChI=1S/C13H18O2/c14-13(12-7-8-15-10-12)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2
InChIKeyHUNKSGJIROMCNJ-UHFFFAOYSA-N
XLogP3.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cycloheptyl-1-(furan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(furan-3-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(furan-3-yl)ethanone (CID 114971700) is 2-cycloheptyl-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(furan-3-yl)ethanone is O=C(CC1CCCCCC1)c1ccoc1.
What is the InChIKey of 2-cycloheptyl-1-(furan-3-yl)ethanone?
The InChIKey is HUNKSGJIROMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13(12-7-8-15-10-12)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2.
What are the key properties of 2-cycloheptyl-1-(furan-3-yl)ethanone?
2-cycloheptyl-1-(furan-3-yl)ethanone has a molecular weight of 206.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(furan-3-yl)ethanone is sourced from PubChem (CID 114971700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).