(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride

C6H9ClO — CID 28875815

IUPAC(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C[C@H]1C(=O)Cl
InChIInChI=1S/C6H9ClO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyQQNQOWHUBGUGQI-BYPYZUCNSA-N
MW132.59 g/mol
LogP1.80
Rot. Bonds1

About (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride

(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 28875815) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
PubChem CID28875815
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C[C@H]1C(=O)Cl
InChIInChI=1S/C6H9ClO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyQQNQOWHUBGUGQI-BYPYZUCNSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride 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 (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride (CID 28875815) is (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride is CC1(C)C[C@H]1C(=O)Cl.
What is the InChIKey of (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is QQNQOWHUBGUGQI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9ClO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride?
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 28875815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).