1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C18H18N2O4 — CID 126470253

IUPAC1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H18N2O4/c21-18-2-1-7-20(18)8-9-22-17-6-4-14(11-19-17)13-3-5-15-16(10-13)24-12-23-15/h3-6,10-11H,1-2,7-9,12H2
InChIKeyNUFLHHGCOLNNJW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 126470253) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID126470253
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(-c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H18N2O4/c21-18-2-1-7-20(18)8-9-22-17-6-4-14(11-19-17)13-3-5-15-16(10-13)24-12-23-15/h3-6,10-11H,1-2,7-9,12H2
InChIKeyNUFLHHGCOLNNJW-UHFFFAOYSA-N
XLogP2.48
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
CID 123323957
1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 47050188
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 59465180
1-[[2-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 74234017
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 54769557
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 126470253) is 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc(-c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is NUFLHHGCOLNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-18-2-1-7-20(18)8-9-22-17-6-4-14(11-19-17)13-3-5-15-16(10-13)24-12-23-15/h3-6,10-11H,1-2,7-9,12H2.
What are the key properties of 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 326.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).