2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide

C7H11Cl2NO — CID 56992773

IUPAC2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(N)=O)CC1CC(Cl)Cl
InChIInChI=1S/C7H11Cl2NO/c1-7(6(10)11)3-4(7)2-5(8)9/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyABFRTHIYFKZXDE-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.69
Rot. Bonds3

About 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide

2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 56992773) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide
PubChem CID56992773
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC Name2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(N)=O)CC1CC(Cl)Cl
InChIInChI=1S/C7H11Cl2NO/c1-7(6(10)11)3-4(7)2-5(8)9/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyABFRTHIYFKZXDE-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide
CID 163545109
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
2-chloro-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 123554977
(Z)-1-[(1R)-1-methyl-2-propylcyclopropyl]ethene-1,2-diamine
CID 163724777
(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98055767
(1S)-1-methyl-2-[(Z,8S)-8-methyl-9-oxodec-1-enyl]cyclopropane-1-carboxamide
CID 143314881
2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
CID 140831837
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3,4-dimethyldithiolane-4-carboxamide
CID 91545095

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide (CID 56992773) is 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide is CC1(C(N)=O)CC1CC(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is ABFRTHIYFKZXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO/c1-7(6(10)11)3-4(7)2-5(8)9/h4-5H,2-3H2,1H3,(H2,10,11).
What are the key properties of 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide?
2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 196.08 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloroethyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 56992773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).