[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H18N2O2 — CID 66261919

IUPAC[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)11-5-3-10(4-6-11)13(17)15-8-7-12(16)9-15/h3-6,12,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQKZMBLWCAJGLLN-GFCCVEGCSA-N
MW234.30 g/mol
LogP0.96
Rot. Bonds2

About [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261919) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261919
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)11-5-3-10(4-6-11)13(17)15-8-7-12(16)9-15/h3-6,12,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQKZMBLWCAJGLLN-GFCCVEGCSA-N
XLogP0.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
3-[4-(dimethylamino)phenyl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79028578

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261919) is [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QKZMBLWCAJGLLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)11-5-3-10(4-6-11)13(17)15-8-7-12(16)9-15/h3-6,12,16H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).