(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C11H11Cl2NO2 — CID 66261191

IUPAC(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11Cl2NO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1
InChIKeyLDESWGJZRIRNQH-MRVPVSSYSA-N
MW260.12 g/mol
LogP2.20
Rot. Bonds1

About (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261191) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261191
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11Cl2NO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1
InChIKeyLDESWGJZRIRNQH-MRVPVSSYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(4-chloro-3-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877647
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 114801684

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261191) is (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LDESWGJZRIRNQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 260.12 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).