pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone

C14H19NO — CID 116568229

IUPACpyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNC2)cc1C
InChIInChI=1S/C14H19NO/c1-9-6-11(3)13(7-10(9)2)14(16)12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyLCFHTWMOUGKLBK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.40
Rot. Bonds2

About pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone

pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 116568229) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID116568229
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Namepyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNC2)cc1C
InChIInChI=1S/C14H19NO/c1-9-6-11(3)13(7-10(9)2)14(16)12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyLCFHTWMOUGKLBK-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
CID 114278961
(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone (CID 116568229) is pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCNC2)cc1C.
What is the InChIKey of pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is LCFHTWMOUGKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-6-11(3)13(7-10(9)2)14(16)12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3.
What are the key properties of pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone?
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116568229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).