1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone

C13H16ClNO2 — CID 53017065

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-9-13(16)15-8-4-7-12(15)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3
InChIKeyRTEIQPXCQKMSPT-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 53017065) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID53017065
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-9-13(16)15-8-4-7-12(15)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3
InChIKeyRTEIQPXCQKMSPT-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94627600
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
3-chloro-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62727780
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
N-[4-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 87028050
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 56816814
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94627552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone (CID 53017065) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is RTEIQPXCQKMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-9-13(16)15-8-4-7-12(15)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 253.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 53017065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).