2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one

C13H16ClNO2 — CID 2930618

IUPAC2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-10(13(16)15-7-2-3-8-15)17-12-6-4-5-11(14)9-12/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyGABOZXFYSBQJMV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2930618) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2930618
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-10(13(16)15-7-2-3-8-15)17-12-6-4-5-11(14)9-12/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyGABOZXFYSBQJMV-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
CID 910270
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
2-(2-Chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6467230
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
(+/-)-trans-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl](3,4-dichlorophenoxy)acetamide monohydrochloride
CID 18603269
trans-2-(4-chlorophenoxy)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide, hydrochloride
CID 45262950
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
1-[2-(3-Chloro-phenoxy)-ethyl]-pyrrolidine
CID 19661865
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 2930618) is 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GABOZXFYSBQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-10(13(16)15-7-2-3-8-15)17-12-6-4-5-11(14)9-12/h4-6,9-10H,2-3,7-8H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2930618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).