(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

C21H22N2O4 — CID 97202403

IUPAC(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1
InChIInChI=1S/C21H22N2O4/c1-14-5-2-3-8-19(14)27-18-12-22(13-18)21(26)15-9-20(25)23(11-15)16-6-4-7-17(24)10-16/h2-8,10,15,18,24H,9,11-13H2,1H3/t15-/m1/s1
InChIKeyOJKOPOLVPTYRCI-OAHLLOKOSA-N
MW366.42 g/mol
LogP2.34
Rot. Bonds4

About (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97202403) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97202403
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1
InChIInChI=1S/C21H22N2O4/c1-14-5-2-3-8-19(14)27-18-12-22(13-18)21(26)15-9-20(25)23(11-15)16-6-4-7-17(24)10-16/h2-8,10,15,18,24H,9,11-13H2,1H3/t15-/m1/s1
InChIKeyOJKOPOLVPTYRCI-OAHLLOKOSA-N
XLogP2.34
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 155492947
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122248397
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
(4R)-4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 95860840
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 97202403) is (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1.
What is the InChIKey of (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OJKOPOLVPTYRCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-5-2-3-8-19(14)27-18-12-22(13-18)21(26)15-9-20(25)23(11-15)16-6-4-7-17(24)10-16/h2-8,10,15,18,24H,9,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97202403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).