2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

C17H19N3O4 — CID 126497716

IUPAC2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C(CN1Cc2ccc(N3CCCC3=O)cc2C1=O)N1CC(O)C1
InChIInChI=1S/C17H19N3O4/c21-13-8-18(9-13)16(23)10-19-7-11-3-4-12(6-14(11)17(19)24)20-5-1-2-15(20)22/h3-4,6,13,21H,1-2,5,7-10H2
InChIKeyRWNDPWWHJGLBDA-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.03
Rot. Bonds3

About 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (PubChem CID 126497716) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
PubChem CID126497716
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C(CN1Cc2ccc(N3CCCC3=O)cc2C1=O)N1CC(O)C1
InChIInChI=1S/C17H19N3O4/c21-13-8-18(9-13)16(23)10-19-7-11-3-4-12(6-14(11)17(19)24)20-5-1-2-15(20)22/h3-4,6,13,21H,1-2,5,7-10H2
InChIKeyRWNDPWWHJGLBDA-UHFFFAOYSA-N
XLogP-0.03
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 123444442
CID 123444442
CID 123562410
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CID 123659178
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CID 123729097
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CID 135191068
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CID 135191091
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CID 135191096
CID 135191096

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (CID 126497716) is 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is O=C(CN1Cc2ccc(N3CCCC3=O)cc2C1=O)N1CC(O)C1.
What is the InChIKey of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The InChIKey is RWNDPWWHJGLBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-13-8-18(9-13)16(23)10-19-7-11-3-4-12(6-14(11)17(19)24)20-5-1-2-15(20)22/h3-4,6,13,21H,1-2,5,7-10H2.
What are the key properties of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one has a molecular weight of 329.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is sourced from PubChem (CID 126497716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).