boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one

C12H26B2N2O9 — CID 139204150

IUPACboric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCCN1CCCC1=O.OB(O)O.OB(O)O
InChIInChI=1S/C12H20N2O3.2BH3O3/c15-11-3-1-5-13(11)7-9-17-10-8-14-6-2-4-12(14)16;2*2-1(3)4/h1-10H2;2*2-4H
InChIKeyOWPXTSRENAGTGU-UHFFFAOYSA-N
MW363.97 g/mol
LogP-3.86
Rot. Bonds6

About boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one

boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 139204150) has the molecular formula C12H26B2N2O9 and a molecular weight of 363.97 g/mol. Its IUPAC name is boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Nameboric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID139204150
Molecular FormulaC12H26B2N2O9
Molecular Weight363.97 g/mol
Exact Mass364.18
IUPAC Nameboric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCCN1CCCC1=O.OB(O)O.OB(O)O
InChIInChI=1S/C12H20N2O3.2BH3O3/c15-11-3-1-5-13(11)7-9-17-10-8-14-6-2-4-12(14)16;2*2-1(3)4/h1-10H2;2*2-4H
InChIKeyOWPXTSRENAGTGU-UHFFFAOYSA-N
XLogP-3.86
TPSA171.23 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 5-3.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one (CID 139204150) is boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOCCN1CCCC1=O.OB(O)O.OB(O)O.
What is the InChIKey of boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is OWPXTSRENAGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.2BH3O3/c15-11-3-1-5-13(11)7-9-17-10-8-14-6-2-4-12(14)16;2*2-1(3)4/h1-10H2;2*2-4H.
What are the key properties of boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one?
boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 363.97 g/mol, XLogP of -3.86, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 139204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).