2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide

C6H9Cl2NO — CID 13218103

IUPAC2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-9(2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3
InChIKeyYXQBALNGHJAPIY-UHFFFAOYSA-N
MW182.05 g/mol
LogP1.27
Rot. Bonds1

About 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 13218103) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID13218103
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-9(2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3
InChIKeyYXQBALNGHJAPIY-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide (CID 13218103) is 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is YXQBALNGHJAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c1-9(2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 182.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 13218103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).