(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C8H11Cl2NO2 — CID 111561130

IUPAC(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1(Cl)Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C8H11Cl2NO2/c9-8(10)3-6(8)7(13)11-2-1-5(12)4-11/h5-6,12H,1-4H2/t5-,6?/m1/s1
InChIKeyQSVFJRAYSGZKSY-LWOQYNTDSA-N
MW224.09 g/mol
LogP0.77
Rot. Bonds1

About (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561130) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561130
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Name(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1(Cl)Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C8H11Cl2NO2/c9-8(10)3-6(8)7(13)11-2-1-5(12)4-11/h5-6,12H,1-4H2/t5-,6?/m1/s1
InChIKeyQSVFJRAYSGZKSY-LWOQYNTDSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
1,3-dithiolan-2-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 126997876
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
S-methyl 3-hydroxypyrrolidine-1-carbothioate
CID 91263437
3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107214281
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71683274
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103761920
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561130) is (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1(Cl)Cl)N1CC[C@@H](O)C1.
What is the InChIKey of (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QSVFJRAYSGZKSY-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H11Cl2NO2/c9-8(10)3-6(8)7(13)11-2-1-5(12)4-11/h5-6,12H,1-4H2/t5-,6?/m1/s1.
What are the key properties of (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 224.09 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).