propane-1,2,3-triol;pyrrolidin-2-one

C7H15NO4 — CID 23046607

IUPACpropane-1,2,3-triol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCC(O)CO
InChIInChI=1S/C4H7NO.C3H8O3/c6-4-2-1-3-5-4;4-1-3(6)2-5/h1-3H2,(H,5,6);3-6H,1-2H2
InChIKeyJIFDAPBDLWBOGR-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.77
Rot. Bonds2

About propane-1,2,3-triol;pyrrolidin-2-one

propane-1,2,3-triol;pyrrolidin-2-one (PubChem CID 23046607) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is propane-1,2,3-triol;pyrrolidin-2-one.

Molecular Properties

Compound Namepropane-1,2,3-triol;pyrrolidin-2-one
PubChem CID23046607
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namepropane-1,2,3-triol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCC(O)CO
InChIInChI=1S/C4H7NO.C3H8O3/c6-4-2-1-3-5-4;4-1-3(6)2-5/h1-3H2,(H,5,6);3-6H,1-2H2
InChIKeyJIFDAPBDLWBOGR-UHFFFAOYSA-N
XLogP-1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;pyrrolidin-2-one?
The IUPAC name of propane-1,2,3-triol;pyrrolidin-2-one (CID 23046607) is propane-1,2,3-triol;pyrrolidin-2-one.
What is the SMILES notation for propane-1,2,3-triol;pyrrolidin-2-one?
The canonical SMILES for propane-1,2,3-triol;pyrrolidin-2-one is O=C1CCCN1.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;pyrrolidin-2-one?
The InChIKey is JIFDAPBDLWBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8O3/c6-4-2-1-3-5-4;4-1-3(6)2-5/h1-3H2,(H,5,6);3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;pyrrolidin-2-one?
propane-1,2,3-triol;pyrrolidin-2-one has a molecular weight of 177.20 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;pyrrolidin-2-one is sourced from PubChem (CID 23046607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).