2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone

C12H14ClNO2 — CID 883837

IUPAC2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyODNNZQMPKDHECR-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone

2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 883837) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID883837
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyODNNZQMPKDHECR-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
CID 910270
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CID 3052206
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-(2-Chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6467230
2-(2-Chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6468965
1-[2-(2-Chlorophenoxy)acetyl]imidazolidin-2-one
CID 9503657
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone (CID 883837) is 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is ODNNZQMPKDHECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-5-1-2-6-11(10)16-9-12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 239.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 883837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).