2,2-dichloro-2-pyrrolidin-1-ylacetamide

C6H10Cl2N2O — CID 70467648

IUPAC2,2-dichloro-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(Cl)(Cl)N1CCCC1
InChIInChI=1S/C6H10Cl2N2O/c7-6(8,5(9)11)10-3-1-2-4-10/h1-4H2,(H2,9,11)
InChIKeyBCTKEXGLDUXGJL-UHFFFAOYSA-N
MW197.06 g/mol
LogP0.70
Rot. Bonds2

About 2,2-dichloro-2-pyrrolidin-1-ylacetamide

2,2-dichloro-2-pyrrolidin-1-ylacetamide (PubChem CID 70467648) has the molecular formula C6H10Cl2N2O and a molecular weight of 197.06 g/mol. Its IUPAC name is 2,2-dichloro-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2,2-dichloro-2-pyrrolidin-1-ylacetamide
PubChem CID70467648
Molecular FormulaC6H10Cl2N2O
Molecular Weight197.06 g/mol
Exact Mass196.02
IUPAC Name2,2-dichloro-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(Cl)(Cl)N1CCCC1
InChIInChI=1S/C6H10Cl2N2O/c7-6(8,5(9)11)10-3-1-2-4-10/h1-4H2,(H2,9,11)
InChIKeyBCTKEXGLDUXGJL-UHFFFAOYSA-N
XLogP0.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-piperidin-1-ylpentanamide
CID 67908244
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343
2-(1,4-diazepan-1-yl)-2-propylpentanamide
CID 61005752
2-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 106523258
2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-one
CID 79190926
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
2,2-dibromo-2-chloroacetamide
CID 57485950
2,2-difluoro-2-piperidin-1-ylacetyl fluoride
CID 71775720
2-chloro-2-pyrrolidin-1-ylpropanal
CID 174734311
2-methoxy-2-phenyl-2-piperidin-1-ylacetamide
CID 69092730

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2,2-dichloro-2-pyrrolidin-1-ylacetamide (CID 70467648) is 2,2-dichloro-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2,2-dichloro-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2,2-dichloro-2-pyrrolidin-1-ylacetamide is NC(=O)C(Cl)(Cl)N1CCCC1.
What is the InChIKey of 2,2-dichloro-2-pyrrolidin-1-ylacetamide?
The InChIKey is BCTKEXGLDUXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2N2O/c7-6(8,5(9)11)10-3-1-2-4-10/h1-4H2,(H2,9,11).
What are the key properties of 2,2-dichloro-2-pyrrolidin-1-ylacetamide?
2,2-dichloro-2-pyrrolidin-1-ylacetamide has a molecular weight of 197.06 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 70467648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).