(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C15H21NO2 — CID 58949513

IUPAC(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h4-7,13,17H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyHHVCUUKJJVGYOB-CYBMUJFWSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds1

About (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 58949513) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID58949513
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h4-7,13,17H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyHHVCUUKJJVGYOB-CYBMUJFWSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 58949513) is (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is HHVCUUKJJVGYOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h4-7,13,17H,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 58949513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).