2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone

C14H19NO3 — CID 30147939

IUPAC2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-12-5-6-13(18-2)11(9-12)10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyUTUYNSFNVKGAEO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone

2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 30147939) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID30147939
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-12-5-6-13(18-2)11(9-12)10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyUTUYNSFNVKGAEO-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 120658666
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone (CID 30147939) is 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone is COc1ccc(OC)c(CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is UTUYNSFNVKGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-5-6-13(18-2)11(9-12)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-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone?
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 30147939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).