4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one

C18H16N4O2 — CID 17080693

IUPAC4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)n2nnc3ccccc32)CC1=O
InChIInChI=1S/C18H16N4O2/c1-12-6-2-4-8-15(12)21-11-13(10-17(21)23)18(24)22-16-9-5-3-7-14(16)19-20-22/h2-9,13H,10-11H2,1H3
InChIKeyGBEYCIGLBROTHR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.43
Rot. Bonds2

About 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one

4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 17080693) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID17080693
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)n2nnc3ccccc32)CC1=O
InChIInChI=1S/C18H16N4O2/c1-12-6-2-4-8-15(12)21-11-13(10-17(21)23)18(24)22-16-9-5-3-7-14(16)19-20-22/h2-9,13H,10-11H2,1H3
InChIKeyGBEYCIGLBROTHR-UHFFFAOYSA-N
XLogP2.43
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzotriazole-1-carbonyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120583
(4S)-4-(benzotriazole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400855
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
4-(benzotriazole-1-carbonyl)-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
CID 17225382
(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrate;hydrochloride
CID 21128885
(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438172
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9350947

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one (CID 17080693) is 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1CC(C(=O)n2nnc3ccccc32)CC1=O.
What is the InChIKey of 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is GBEYCIGLBROTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-6-2-4-8-15(12)21-11-13(10-17(21)23)18(24)22-16-9-5-3-7-14(16)19-20-22/h2-9,13H,10-11H2,1H3.
What are the key properties of 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17080693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).