6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one

C20H22N2O3 — CID 144545794

IUPAC6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1-c1ccc2c(ccn2CC2OCCO2)c1
InChIInChI=1S/C20H22N2O3/c1-3-14-10-13(2)20(23)21-19(14)16-4-5-17-15(11-16)6-7-22(17)12-18-24-8-9-25-18/h4-7,10-11,18H,3,8-9,12H2,1-2H3,(H,21,23)
InChIKeyAAJWQQNKMIEHIT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds4

About 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one

6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one (PubChem CID 144545794) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one
PubChem CID144545794
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1-c1ccc2c(ccn2CC2OCCO2)c1
InChIInChI=1S/C20H22N2O3/c1-3-14-10-13(2)20(23)21-19(14)16-4-5-17-15(11-16)6-7-22(17)12-18-24-8-9-25-18/h4-7,10-11,18H,3,8-9,12H2,1-2H3,(H,21,23)
InChIKeyAAJWQQNKMIEHIT-UHFFFAOYSA-N
XLogP3.24
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one (CID 144545794) is 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one is CCc1cc(C)c(=O)[nH]c1-c1ccc2c(ccn2CC2OCCO2)c1.
What is the InChIKey of 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one?
The InChIKey is AAJWQQNKMIEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-10-13(2)20(23)21-19(14)16-4-5-17-15(11-16)6-7-22(17)12-18-24-8-9-25-18/h4-7,10-11,18H,3,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one?
6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 144545794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).