(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone

C12H16O2 — CID 107000752

IUPAC(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CC2(C)C)o1
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3
InChIKeyZPRYKNXOCSAEKZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.07
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone

(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 107000752) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
PubChem CID107000752
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CC2(C)C)o1
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3
InChIKeyZPRYKNXOCSAEKZ-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone 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 (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone (CID 107000752) is (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)C2CC2(C)C)o1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is ZPRYKNXOCSAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 107000752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).