3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one

C20H23NO — CID 155555505

IUPAC3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23NO/c1-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20(22)21-14-2-3-15-21/h4-7,9-12H,2-3,8,13-15H2,1H3
InChIKeyRKTMACOPJNRIEJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.22
Rot. Bonds4

About 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one

3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 155555505) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID155555505
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23NO/c1-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20(22)21-14-2-3-15-21/h4-7,9-12H,2-3,8,13-15H2,1H3
InChIKeyRKTMACOPJNRIEJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one (CID 155555505) is 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RKTMACOPJNRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20(22)21-14-2-3-15-21/h4-7,9-12H,2-3,8,13-15H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 155555505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).