1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C14H18ClNO2 — CID 102782389

IUPAC1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(CC(=O)c2ccccc2Cl)C1CO
InChIInChI=1S/C14H18ClNO2/c1-10-6-7-16(13(10)9-17)8-14(18)11-4-2-3-5-12(11)15/h2-5,10,13,17H,6-9H2,1H3
InChIKeyMSRFKQCQGRBZBP-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102782389) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102782389
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(CC(=O)c2ccccc2Cl)C1CO
InChIInChI=1S/C14H18ClNO2/c1-10-6-7-16(13(10)9-17)8-14(18)11-4-2-3-5-12(11)15/h2-5,10,13,17H,6-9H2,1H3
InChIKeyMSRFKQCQGRBZBP-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
1-(1-benzofuran-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782504
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
1-(3,4-dihydroxyphenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782568
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102788385
4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
CID 102788938
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
1-(1,3-benzodioxol-5-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782490

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102782389) is 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC1CCN(CC(=O)c2ccccc2Cl)C1CO.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is MSRFKQCQGRBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-6-7-16(13(10)9-17)8-14(18)11-4-2-3-5-12(11)15/h2-5,10,13,17H,6-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102782389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).