2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone

C14H19NO — CID 95970810

IUPAC2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(CC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-11-5-6-13(12(2)9-11)10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyOZQLSQGJXTVXDH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.47
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone

2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 95970810) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID95970810
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(CC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-11-5-6-13(12(2)9-11)10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyOZQLSQGJXTVXDH-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110809402
2-(4-bromo-2-methylphenyl)-1-piperidin-1-ylethanone
CID 166638846
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
N-cyclohexyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813819
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 95971117
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110815187
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 7597081

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone (CID 95970810) is 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone is Cc1ccc(CC(=O)N2CCCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is OZQLSQGJXTVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-6-13(12(2)9-11)10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone?
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 95970810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).