1-(2,2-dimethylcyclopropyl)propan-1-one

C8H14O — CID 14569466

IUPAC1-(2,2-dimethylcyclopropyl)propan-1-one
SMILESCCC(=O)C1CC1(C)C
InChIInChI=1S/C8H14O/c1-4-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyOQUWBYIAYRFRFB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)propan-1-one

1-(2,2-dimethylcyclopropyl)propan-1-one (PubChem CID 14569466) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)propan-1-one
PubChem CID14569466
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(2,2-dimethylcyclopropyl)propan-1-one
SMILESCCC(=O)C1CC1(C)C
InChIInChI=1S/C8H14O/c1-4-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyOQUWBYIAYRFRFB-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethylcyclopropyl)propan-1-one 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 1-(2,2-dimethylcyclopropyl)propan-1-one?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)propan-1-one (CID 14569466) is 1-(2,2-dimethylcyclopropyl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)propan-1-one is CCC(=O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)propan-1-one?
The InChIKey is OQUWBYIAYRFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)propan-1-one?
1-(2,2-dimethylcyclopropyl)propan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)propan-1-one is sourced from PubChem (CID 14569466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).