1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine

C16H22Cl2N2 — CID 62274734

IUPAC1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(c1cc(Cl)ccc1Cl)N1CCCC1C1CCCN1
InChIInChI=1S/C16H22Cl2N2/c1-11(13-10-12(17)6-7-14(13)18)20-9-3-5-16(20)15-4-2-8-19-15/h6-7,10-11,15-16,19H,2-5,8-9H2,1H3
InChIKeyYPYGODGQHKWZRO-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.27
Rot. Bonds3

About 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine

1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62274734) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62274734
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(c1cc(Cl)ccc1Cl)N1CCCC1C1CCCN1
InChIInChI=1S/C16H22Cl2N2/c1-11(13-10-12(17)6-7-14(13)18)20-9-3-5-16(20)15-4-2-8-19-15/h6-7,10-11,15-16,19H,2-5,8-9H2,1H3
InChIKeyYPYGODGQHKWZRO-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine (CID 62274734) is 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine is CC(c1cc(Cl)ccc1Cl)N1CCCC1C1CCCN1.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is YPYGODGQHKWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-11(13-10-12(17)6-7-14(13)18)20-9-3-5-16(20)15-4-2-8-19-15/h6-7,10-11,15-16,19H,2-5,8-9H2,1H3.
What are the key properties of 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 313.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62274734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).