(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one

C24H25N5O2 — CID 100714642

IUPAC(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)CC2=O)cc1C
InChIInChI=1S/C24H25N5O2/c1-16-8-9-20(10-17(16)2)28-12-19(11-23(28)30)24(31)27-13-21(14-27)29-15-22(25-26-29)18-6-4-3-5-7-18/h3-10,15,19,21H,11-14H2,1-2H3/t19-/m1/s1
InChIKeyCBZOHFMTOQWVMA-LJQANCHMSA-N
MW415.50 g/mol
LogP3.00
Rot. Bonds4

About (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 100714642) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID100714642
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)CC2=O)cc1C
InChIInChI=1S/C24H25N5O2/c1-16-8-9-20(10-17(16)2)28-12-19(11-23(28)30)24(31)27-13-21(14-27)29-15-22(25-26-29)18-6-4-3-5-7-18/h3-10,15,19,21H,11-14H2,1-2H3/t19-/m1/s1
InChIKeyCBZOHFMTOQWVMA-LJQANCHMSA-N
XLogP3.00
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92898912
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 97354962

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one (CID 100714642) is (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)CC2=O)cc1C.
What is the InChIKey of (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CBZOHFMTOQWVMA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-8-9-20(10-17(16)2)28-12-19(11-23(28)30)24(31)27-13-21(14-27)29-15-22(25-26-29)18-6-4-3-5-7-18/h3-10,15,19,21H,11-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethylphenyl)-4-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 100714642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).