azane;ethane-1,2-diol;pyrrolidin-2-one

C6H16N2O3 — CID 67748667

IUPACazane;ethane-1,2-diol;pyrrolidin-2-one
SMILESN.O=C1CCCN1.OCCO
InChIInChI=1S/C4H7NO.C2H6O2.H3N/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);3-4H,1-2H2;1H3
InChIKeyHSNAJYMSLPKNHC-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.97
Rot. Bonds1

About azane;ethane-1,2-diol;pyrrolidin-2-one

azane;ethane-1,2-diol;pyrrolidin-2-one (PubChem CID 67748667) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is azane;ethane-1,2-diol;pyrrolidin-2-one.

Molecular Properties

Compound Nameazane;ethane-1,2-diol;pyrrolidin-2-one
PubChem CID67748667
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC Nameazane;ethane-1,2-diol;pyrrolidin-2-one
SMILESN.O=C1CCCN1.OCCO
InChIInChI=1S/C4H7NO.C2H6O2.H3N/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);3-4H,1-2H2;1H3
InChIKeyHSNAJYMSLPKNHC-UHFFFAOYSA-N
XLogP-0.97
TPSA104.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;ethane-1,2-diol;pyrrolidin-2-one?
The IUPAC name of azane;ethane-1,2-diol;pyrrolidin-2-one (CID 67748667) is azane;ethane-1,2-diol;pyrrolidin-2-one.
What is the SMILES notation for azane;ethane-1,2-diol;pyrrolidin-2-one?
The canonical SMILES for azane;ethane-1,2-diol;pyrrolidin-2-one is N.O=C1CCCN1.OCCO.
What is the InChIKey of azane;ethane-1,2-diol;pyrrolidin-2-one?
The InChIKey is HSNAJYMSLPKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6O2.H3N/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);3-4H,1-2H2;1H3.
What are the key properties of azane;ethane-1,2-diol;pyrrolidin-2-one?
azane;ethane-1,2-diol;pyrrolidin-2-one has a molecular weight of 164.20 g/mol, XLogP of -0.97, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane-1,2-diol;pyrrolidin-2-one is sourced from PubChem (CID 67748667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).