1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone

C14H19NO — CID 79537623

IUPAC1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
SMILESCCc1ccc(C(=O)CC2CCCN2)cc1
InChIInChI=1S/C14H19NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3
InChIKeyWEFFSGIDWMSFBA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone

1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 79537623) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
PubChem CID79537623
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
SMILESCCc1ccc(C(=O)CC2CCCN2)cc1
InChIInChI=1S/C14H19NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3
InChIKeyWEFFSGIDWMSFBA-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116560958
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone (CID 79537623) is 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone is CCc1ccc(C(=O)CC2CCCN2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is WEFFSGIDWMSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone?
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 79537623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).