4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one

C17H25NO — CID 172874661

IUPAC4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCc1ccccc1C(=O)C(CC(C)C)N1CCCC1
InChIInChI=1S/C17H25NO/c1-13(2)12-16(18-10-6-7-11-18)17(19)15-9-5-4-8-14(15)3/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3
InChIKeyAOKOELDLOCWLOH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds5

About 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one

4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 172874661) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID172874661
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCc1ccccc1C(=O)C(CC(C)C)N1CCCC1
InChIInChI=1S/C17H25NO/c1-13(2)12-16(18-10-6-7-11-18)17(19)15-9-5-4-8-14(15)3/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3
InChIKeyAOKOELDLOCWLOH-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 172874661) is 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one is Cc1ccccc1C(=O)C(CC(C)C)N1CCCC1.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is AOKOELDLOCWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)12-16(18-10-6-7-11-18)17(19)15-9-5-4-8-14(15)3/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 172874661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).