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

C16H23NO — CID 14373

💊View drug profile → pyrovalerone
IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeySWUVZKWCOBGPTH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds5

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

1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 14373) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID14373
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeySWUVZKWCOBGPTH-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Mephedrone
CID 45266826
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Monomethylpropion
CID 1576
Tolperisone Hydrochloride
CID 92965
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Naphyrone
CID 11243002
Eperisone Hydrochloride
CID 123698
Lanperisone
CID 198707

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 14373) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is SWUVZKWCOBGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 14373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).