2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide

C10H12Cl2N2O — CID 78831224

IUPAC2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
SMILESN#CC1(NC(=O)C2CC2(Cl)Cl)CCCC1
InChIInChI=1S/C10H12Cl2N2O/c11-10(12)5-7(10)8(15)14-9(6-13)3-1-2-4-9/h7H,1-5H2,(H,14,15)
InChIKeyDEYKUYVTOGSCTC-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.13
Rot. Bonds2

About 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide (PubChem CID 78831224) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
PubChem CID78831224
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
SMILESN#CC1(NC(=O)C2CC2(Cl)Cl)CCCC1
InChIInChI=1S/C10H12Cl2N2O/c11-10(12)5-7(10)8(15)14-9(6-13)3-1-2-4-9/h7H,1-5H2,(H,14,15)
InChIKeyDEYKUYVTOGSCTC-UHFFFAOYSA-N
XLogP2.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide (CID 78831224) is 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide is N#CC1(NC(=O)C2CC2(Cl)Cl)CCCC1.
What is the InChIKey of 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide?
The InChIKey is DEYKUYVTOGSCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-10(12)5-7(10)8(15)14-9(6-13)3-1-2-4-9/h7H,1-5H2,(H,14,15).
What are the key properties of 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78831224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).