1-(1-hydroxyethyl)pyrrolidine-2,2-diol

C6H13NO3 — CID 67829284

IUPAC1-(1-hydroxyethyl)pyrrolidine-2,2-diol
SMILESCC(O)N1CCCC1(O)O
InChIInChI=1S/C6H13NO3/c1-5(8)7-4-2-3-6(7,9)10/h5,8-10H,2-4H2,1H3
InChIKeyZGBDFVMJDJQHGB-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.94
Rot. Bonds1

About 1-(1-hydroxyethyl)pyrrolidine-2,2-diol

1-(1-hydroxyethyl)pyrrolidine-2,2-diol (PubChem CID 67829284) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyrrolidine-2,2-diol.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyrrolidine-2,2-diol
PubChem CID67829284
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-(1-hydroxyethyl)pyrrolidine-2,2-diol
SMILESCC(O)N1CCCC1(O)O
InChIInChI=1S/C6H13NO3/c1-5(8)7-4-2-3-6(7,9)10/h5,8-10H,2-4H2,1H3
InChIKeyZGBDFVMJDJQHGB-UHFFFAOYSA-N
XLogP-0.94
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1-hydroxyethyl)pyrrolidine-2,2-diol?
The IUPAC name of 1-(1-hydroxyethyl)pyrrolidine-2,2-diol (CID 67829284) is 1-(1-hydroxyethyl)pyrrolidine-2,2-diol.
What is the SMILES notation for 1-(1-hydroxyethyl)pyrrolidine-2,2-diol?
The canonical SMILES for 1-(1-hydroxyethyl)pyrrolidine-2,2-diol is CC(O)N1CCCC1(O)O.
What is the InChIKey of 1-(1-hydroxyethyl)pyrrolidine-2,2-diol?
The InChIKey is ZGBDFVMJDJQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(8)7-4-2-3-6(7,9)10/h5,8-10H,2-4H2,1H3.
What are the key properties of 1-(1-hydroxyethyl)pyrrolidine-2,2-diol?
1-(1-hydroxyethyl)pyrrolidine-2,2-diol has a molecular weight of 147.17 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyrrolidine-2,2-diol is sourced from PubChem (CID 67829284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).