5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

C14H17Cl2NO — CID 104687817

IUPAC5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(Cc2cc(Cl)cc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C14H17Cl2NO/c1-9(2)14(4-3-13(18)17-14)8-10-5-11(15)7-12(16)6-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyQLCRGKQIFYFBRA-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.84
Rot. Bonds3

About 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 104687817) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID104687817
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(Cc2cc(Cl)cc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C14H17Cl2NO/c1-9(2)14(4-3-13(18)17-14)8-10-5-11(15)7-12(16)6-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyQLCRGKQIFYFBRA-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (CID 104687817) is 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is CC(C)C1(Cc2cc(Cl)cc(Cl)c2)CCC(=O)N1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is QLCRGKQIFYFBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9(2)14(4-3-13(18)17-14)8-10-5-11(15)7-12(16)6-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 286.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104687817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).