(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H13Cl2NO2 — CID 62370762

IUPAC(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCC(CO)C1
InChIInChI=1S/C12H13Cl2NO2/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8(6-15)7-16/h1-3,8,16H,4-7H2
InChIKeyMPONUWGPJNROQK-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.45
Rot. Bonds2

About (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62370762) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62370762
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCC(CO)C1
InChIInChI=1S/C12H13Cl2NO2/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8(6-15)7-16/h1-3,8,16H,4-7H2
InChIKeyMPONUWGPJNROQK-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 62370587
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100273

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62370762) is (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1c(Cl)cccc1Cl)N1CCC(CO)C1.
What is the InChIKey of (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MPONUWGPJNROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-2-1-3-10(14)11(9)12(17)15-5-4-8(6-15)7-16/h1-3,8,16H,4-7H2.
What are the key properties of (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 274.15 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62370762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).