4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol

C11H24N2O4 — CID 160692624

IUPAC4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol
SMILESC.CN1CC(O)C(O)C1.CN1CC(O)CC1=O
InChIInChI=1S/C5H11NO2.C5H9NO2.CH4/c1-6-2-4(7)5(8)3-6;1-6-3-4(7)2-5(6)8;/h4-5,7-8H,2-3H2,1H3;4,7H,2-3H2,1H3;1H4
InChIKeyRPPGLAJRPKUYIW-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.50
Rot. Bonds

About 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol

4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol (PubChem CID 160692624) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol
PubChem CID160692624
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol
SMILESC.CN1CC(O)C(O)C1.CN1CC(O)CC1=O
InChIInChI=1S/C5H11NO2.C5H9NO2.CH4/c1-6-2-4(7)5(8)3-6;1-6-3-4(7)2-5(6)8;/h4-5,7-8H,2-3H2,1H3;4,7H,2-3H2,1H3;1H4
InChIKeyRPPGLAJRPKUYIW-UHFFFAOYSA-N
XLogP-1.50
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol?
The IUPAC name of 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol (CID 160692624) is 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol.
What is the SMILES notation for 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol?
The canonical SMILES for 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol is C.CN1CC(O)C(O)C1.CN1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol?
The InChIKey is RPPGLAJRPKUYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H9NO2.CH4/c1-6-2-4(7)5(8)3-6;1-6-3-4(7)2-5(6)8;/h4-5,7-8H,2-3H2,1H3;4,7H,2-3H2,1H3;1H4.
What are the key properties of 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol?
4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol has a molecular weight of 248.32 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 160692624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).