(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H13Cl2NO2 — CID 62348194

IUPAC(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(CO)C1
InChIInChI=1S/C12H13Cl2NO2/c13-9-1-2-10(11(14)5-9)12(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2
InChIKeyWHPIKFQXCVRTJJ-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.45
Rot. Bonds2

About (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62348194) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62348194
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(CO)C1
InChIInChI=1S/C12H13Cl2NO2/c13-9-1-2-10(11(14)5-9)12(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2
InChIKeyWHPIKFQXCVRTJJ-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

(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62348194) is (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCC(CO)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WHPIKFQXCVRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-1-2-10(11(14)5-9)12(17)15-4-3-8(6-15)7-16/h1-2,5,8,16H,3-4,6-7H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,4-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 (2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62348194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).