[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C14H19NO3 — CID 66262351

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)18-13-5-3-11(4-6-13)14(17)15-8-7-12(16)9-15/h3-6,10,12,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOKDDWOCCXDTACY-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.68
Rot. Bonds3

About [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 66262351) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID66262351
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)18-13-5-3-11(4-6-13)14(17)15-8-7-12(16)9-15/h3-6,10,12,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOKDDWOCCXDTACY-GFCCVEGCSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057
(E)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111560958
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439
N-[(4S,5S)-5-hydroxy-1-(4-propan-2-yloxybenzoyl)azepan-4-yl]acetamide
CID 110126962
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 66262351) is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is OKDDWOCCXDTACY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-13-5-3-11(4-6-13)14(17)15-8-7-12(16)9-15/h3-6,10,12,16H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 66262351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).