2-chloro-1-methyl-1-propan-2-ylcyclopropane

C7H13Cl — CID 89015901

IUPAC2-chloro-1-methyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C)CC1Cl
InChIInChI=1S/C7H13Cl/c1-5(2)7(3)4-6(7)8/h5-6H,4H2,1-3H3
InChIKeyLAEKEMQMTSONIZ-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds1

About 2-chloro-1-methyl-1-propan-2-ylcyclopropane

2-chloro-1-methyl-1-propan-2-ylcyclopropane (PubChem CID 89015901) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 2-chloro-1-methyl-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name2-chloro-1-methyl-1-propan-2-ylcyclopropane
PubChem CID89015901
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name2-chloro-1-methyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C)CC1Cl
InChIInChI=1S/C7H13Cl/c1-5(2)7(3)4-6(7)8/h5-6H,4H2,1-3H3
InChIKeyLAEKEMQMTSONIZ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-methyl-1-propan-2-ylcyclopropane 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-chloro-1-methyl-1-propan-2-ylcyclopropane?
The IUPAC name of 2-chloro-1-methyl-1-propan-2-ylcyclopropane (CID 89015901) is 2-chloro-1-methyl-1-propan-2-ylcyclopropane.
What is the SMILES notation for 2-chloro-1-methyl-1-propan-2-ylcyclopropane?
The canonical SMILES for 2-chloro-1-methyl-1-propan-2-ylcyclopropane is CC(C)C1(C)CC1Cl.
What is the InChIKey of 2-chloro-1-methyl-1-propan-2-ylcyclopropane?
The InChIKey is LAEKEMQMTSONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-5(2)7(3)4-6(7)8/h5-6H,4H2,1-3H3.
What are the key properties of 2-chloro-1-methyl-1-propan-2-ylcyclopropane?
2-chloro-1-methyl-1-propan-2-ylcyclopropane has a molecular weight of 132.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-1-propan-2-ylcyclopropane is sourced from PubChem (CID 89015901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).