1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone

C13H16ClNO2 — CID 103535548

IUPAC1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2/c1-17-12-6-7-15(8-12)9-13(16)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3
InChIKeyNPPKIVWRWQYUFR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone

1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone (PubChem CID 103535548) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
PubChem CID103535548
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2/c1-17-12-6-7-15(8-12)9-13(16)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3
InChIKeyNPPKIVWRWQYUFR-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone
CID 103535597
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 131905828
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 103535592
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501218
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 102960399

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone (CID 103535548) is 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone is COC1CCN(CC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is NPPKIVWRWQYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-6-7-15(8-12)9-13(16)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone?
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103535548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).