1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone

C14H18ClNO — CID 54886120

IUPAC1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-2-13-7-4-8-16(13)10-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyOYJYJZDWRQCLRL-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone

1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone (PubChem CID 54886120) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
PubChem CID54886120
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-2-13-7-4-8-16(13)10-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyOYJYJZDWRQCLRL-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
4-[2-(2-ethylpyrrolidin-1-yl)acetyl]benzonitrile
CID 54885976
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83056229
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone (CID 54886120) is 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone is CCC1CCCN1CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is OYJYJZDWRQCLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-13-7-4-8-16(13)10-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 251.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 54886120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).