1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one

C5H9NO5 — CID 90928113

IUPAC1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one
SMILESO=C1CC(O)(O)CN1C(O)O
InChIInChI=1S/C5H9NO5/c7-3-1-5(10,11)2-6(3)4(8)9/h4,8-11H,1-2H2
InChIKeyXBWZJZVMGHBSCN-UHFFFAOYSA-N
MW163.13 g/mol
LogP-2.83
Rot. Bonds1

About 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one

1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one (PubChem CID 90928113) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one
PubChem CID90928113
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one
SMILESO=C1CC(O)(O)CN1C(O)O
InChIInChI=1S/C5H9NO5/c7-3-1-5(10,11)2-6(3)4(8)9/h4,8-11H,1-2H2
InChIKeyXBWZJZVMGHBSCN-UHFFFAOYSA-N
XLogP-2.83
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one?
The IUPAC name of 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one (CID 90928113) is 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one?
The canonical SMILES for 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one is O=C1CC(O)(O)CN1C(O)O.
What is the InChIKey of 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one?
The InChIKey is XBWZJZVMGHBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c7-3-1-5(10,11)2-6(3)4(8)9/h4,8-11H,1-2H2.
What are the key properties of 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one?
1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one has a molecular weight of 163.13 g/mol, XLogP of -2.83, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxymethyl)-4,4-dihydroxypyrrolidin-2-one is sourced from PubChem (CID 90928113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).