1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one

C20H20N2O2 — CID 25110437

IUPAC1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1cc(C(=O)Cn2ccccc2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-12-18(19(23)14-21-11-7-6-10-20(21)24)16(2)22(15)13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3
InChIKeyNTYUWAVQKWJFJQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one

1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 25110437) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID25110437
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1cc(C(=O)Cn2ccccc2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-12-18(19(23)14-21-11-7-6-10-20(21)24)16(2)22(15)13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3
InChIKeyNTYUWAVQKWJFJQ-UHFFFAOYSA-N
XLogP3.20
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one (CID 25110437) is 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one is Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is NTYUWAVQKWJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-12-18(19(23)14-21-11-7-6-10-20(21)24)16(2)22(15)13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 25110437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).