2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one

C15H21NO — CID 82115885

IUPAC2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)C)cc1N1CCCC1
InChIInChI=1S/C15H21NO/c1-11(2)15(17)13-7-6-12(3)14(10-13)16-8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyXSUVDHKCMHJKMN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.43
Rot. Bonds3

About 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one

2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one (PubChem CID 82115885) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
PubChem CID82115885
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)C)cc1N1CCCC1
InChIInChI=1S/C15H21NO/c1-11(2)15(17)13-7-6-12(3)14(10-13)16-8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyXSUVDHKCMHJKMN-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one (CID 82115885) is 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)C)cc1N1CCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The InChIKey is XSUVDHKCMHJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)15(17)13-7-6-12(3)14(10-13)16-8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 82115885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).