3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one

C16H18N4O2 — CID 154746464

IUPAC3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(n2cc(C3CC3)nn2)C1=O
InChIInChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-13(15)19-9-8-14(16(19)21)20-10-12(17-18-20)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3
InChIKeyMAFSZPDUMUCBSL-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one

3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 154746464) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID154746464
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(n2cc(C3CC3)nn2)C1=O
InChIInChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-13(15)19-9-8-14(16(19)21)20-10-12(17-18-20)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3
InChIKeyMAFSZPDUMUCBSL-UHFFFAOYSA-N
XLogP2.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 167776819
3-[4-(2-methoxyphenyl)triazol-1-yl]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 167842497
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119814008
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 121190644
1-(2-methoxyphenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)pyrrolidin-2-one
CID 120754269
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 154746464) is 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CCC(n2cc(C3CC3)nn2)C1=O.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is MAFSZPDUMUCBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-13(15)19-9-8-14(16(19)21)20-10-12(17-18-20)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 298.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).