1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one

C15H20ClNO2 — CID 82051123

IUPAC1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCCOc1ccc(Cl)cc1C(=O)CCN1CCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15-6-5-12(16)11-13(15)14(18)7-10-17-8-3-4-9-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKVOMHHCGMNQIKY-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.41
Rot. Bonds6

About 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one

1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82051123) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82051123
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCCOc1ccc(Cl)cc1C(=O)CCN1CCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15-6-5-12(16)11-13(15)14(18)7-10-17-8-3-4-9-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKVOMHHCGMNQIKY-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82051122
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183441
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-(5-methyl-2-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052110
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 82073050

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one (CID 82051123) is 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one is CCOc1ccc(Cl)cc1C(=O)CCN1CCCC1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KVOMHHCGMNQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-15-6-5-12(16)11-13(15)14(18)7-10-17-8-3-4-9-17/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82051123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).