bis(ethane-1,2-diol);pyrrolidin-2-one

C8H19NO5 — CID 67821909

IUPACbis(ethane-1,2-diol);pyrrolidin-2-one
SMILESO=C1CCCN1.OCCO.OCCO
InChIInChI=1S/C4H7NO.2C2H6O2/c6-4-2-1-3-5-4;2*3-1-2-4/h1-3H2,(H,5,6);2*3-4H,1-2H2
InChIKeyBKUXYLQVVSNWEU-UHFFFAOYSA-N
MW209.24 g/mol
LogP-2.16
Rot. Bonds2

About bis(ethane-1,2-diol);pyrrolidin-2-one

bis(ethane-1,2-diol);pyrrolidin-2-one (PubChem CID 67821909) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is bis(ethane-1,2-diol);pyrrolidin-2-one.

Molecular Properties

Compound Namebis(ethane-1,2-diol);pyrrolidin-2-one
PubChem CID67821909
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Namebis(ethane-1,2-diol);pyrrolidin-2-one
SMILESO=C1CCCN1.OCCO.OCCO
InChIInChI=1S/C4H7NO.2C2H6O2/c6-4-2-1-3-5-4;2*3-1-2-4/h1-3H2,(H,5,6);2*3-4H,1-2H2
InChIKeyBKUXYLQVVSNWEU-UHFFFAOYSA-N
XLogP-2.16
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);pyrrolidin-2-one?
The IUPAC name of bis(ethane-1,2-diol);pyrrolidin-2-one (CID 67821909) is bis(ethane-1,2-diol);pyrrolidin-2-one.
What is the SMILES notation for bis(ethane-1,2-diol);pyrrolidin-2-one?
The canonical SMILES for bis(ethane-1,2-diol);pyrrolidin-2-one is O=C1CCCN1.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);pyrrolidin-2-one?
The InChIKey is BKUXYLQVVSNWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.2C2H6O2/c6-4-2-1-3-5-4;2*3-1-2-4/h1-3H2,(H,5,6);2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);pyrrolidin-2-one?
bis(ethane-1,2-diol);pyrrolidin-2-one has a molecular weight of 209.24 g/mol, XLogP of -2.16, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);pyrrolidin-2-one is sourced from PubChem (CID 67821909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).