1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one

C16H16N4O5 — CID 102440819

IUPAC1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESCOc1nc(OC)nc(C2CCC(=O)N2c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N4O5/c1-22-15-17-14(18-16(19-15)23-2)10-4-6-13(21)20(10)9-3-5-11-12(7-9)25-8-24-11/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeySLOLSQFQWBQWRJ-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.49
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one

1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one (PubChem CID 102440819) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one
PubChem CID102440819
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESCOc1nc(OC)nc(C2CCC(=O)N2c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N4O5/c1-22-15-17-14(18-16(19-15)23-2)10-4-6-13(21)20(10)9-3-5-11-12(7-9)25-8-24-11/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeySLOLSQFQWBQWRJ-UHFFFAOYSA-N
XLogP1.49
TPSA95.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 102440824
(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 124773185
1-(1,3-benzodioxol-5-yl)-5-(pyrrolidine-1-carbonyl)-6-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 15998371
4-amino-1-(1,3-benzodioxol-5-yl)-5-methylpyrrolidin-2-one
CID 117022552
(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
CID 56670202
1-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021935
N-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127190
(2R)-3-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007679
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
(3R)-1-(1,3-benzodioxol-5-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 98299744
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
methyl 1-(1,3-benzodioxol-5-yl)azetidine-2-carboxylate
CID 112581145

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one (CID 102440819) is 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one is COc1nc(OC)nc(C2CCC(=O)N2c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one?
The InChIKey is SLOLSQFQWBQWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-22-15-17-14(18-16(19-15)23-2)10-4-6-13(21)20(10)9-3-5-11-12(7-9)25-8-24-11/h3,5,7,10H,4,6,8H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one?
1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one has a molecular weight of 344.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 102440819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).