1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone

C15H21NO — CID 110769594

IUPAC1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-8-13(3)14(9-12(11)2)10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyDNJSWAUGODUGOZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.78
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone

1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone (PubChem CID 110769594) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
PubChem CID110769594
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-8-13(3)14(9-12(11)2)10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyDNJSWAUGODUGOZ-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893
1-[2-(2,4,5-trimethylphenyl)acetyl]piperidin-3-one
CID 115277111
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 82485265
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
N-propyl-4-[2-(2,4,5-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813895
1-(azepan-1-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770188
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 110769614
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110806586
2-(4-bromo-2-methylphenyl)-1-piperidin-1-ylethanone
CID 166638846
1-[4-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805906
1-[4-[2-(4-methoxy-2,5-dimethylphenyl)acetyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807420

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone (CID 110769594) is 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)N2CCCC2)cc1C.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is DNJSWAUGODUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-13(3)14(9-12(11)2)10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 110769594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).