1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

C14H19NO — CID 91701045

IUPAC1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1C(=O)C(C)N1CCCC1
InChIInChI=1S/C14H19NO/c1-11-7-3-4-8-13(11)14(16)12(2)15-9-5-6-10-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyITKKRQLIQITCHA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 91701045) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID91701045
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1C(=O)C(C)N1CCCC1
InChIInChI=1S/C14H19NO/c1-11-7-3-4-8-13(11)14(16)12(2)15-9-5-6-10-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyITKKRQLIQITCHA-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Monomethylpropion
CID 1576
Metamfepramone
CID 71872
Pyrovalerone
CID 14373
Naphyrone
CID 11243002
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
3-(Dimethylamino)-1-phenyl-1-propanone
CID 77042
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
4-Methylethcathinone
CID 52988259
Buphedrone
CID 53249194

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (CID 91701045) is 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is Cc1ccccc1C(=O)C(C)N1CCCC1.
What is the InChIKey of 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ITKKRQLIQITCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-3-4-8-13(11)14(16)12(2)15-9-5-6-10-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).