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

C10H23NO5 — CID 67631625

IUPACpropane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one
SMILESCCCO.O=C1CCCN1.OCC(O)CO
InChIInChI=1S/C4H7NO.C3H8O3.C3H8O/c6-4-2-1-3-5-4;4-1-3(6)2-5;1-2-3-4/h1-3H2,(H,5,6);3-6H,1-2H2;4H,2-3H2,1H3
InChIKeyGIFXDOWVEWEGJY-UHFFFAOYSA-N
MW237.30 g/mol
LogP-1.38
Rot. Bonds3

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

propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one (PubChem CID 67631625) has the molecular formula C10H23NO5 and a molecular weight of 237.30 g/mol. Its IUPAC name is propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one.

Molecular Properties

Compound Namepropane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one
PubChem CID67631625
Molecular FormulaC10H23NO5
Molecular Weight237.30 g/mol
Exact Mass237.16
IUPAC Namepropane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one
SMILESCCCO.O=C1CCCN1.OCC(O)CO
InChIInChI=1S/C4H7NO.C3H8O3.C3H8O/c6-4-2-1-3-5-4;4-1-3(6)2-5;1-2-3-4/h1-3H2,(H,5,6);3-6H,1-2H2;4H,2-3H2,1H3
InChIKeyGIFXDOWVEWEGJY-UHFFFAOYSA-N
XLogP-1.38
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one?
The IUPAC name of propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one (CID 67631625) is propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one.
What is the SMILES notation for propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one?
The canonical SMILES for propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one is CCCO.O=C1CCCN1.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one?
The InChIKey is GIFXDOWVEWEGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8O3.C3H8O/c6-4-2-1-3-5-4;4-1-3(6)2-5;1-2-3-4/h1-3H2,(H,5,6);3-6H,1-2H2;4H,2-3H2,1H3.
What are the key properties of propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one?
propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of -1.38, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;propan-1-ol;pyrrolidin-2-one is sourced from PubChem (CID 67631625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).