1-(2,3-dihydroxypropoxy)pyrrolidin-2-one

C7H13NO4 — CID 67465039

IUPAC1-(2,3-dihydroxypropoxy)pyrrolidin-2-one
SMILESO=C1CCCN1OCC(O)CO
InChIInChI=1S/C7H13NO4/c9-4-6(10)5-12-8-3-1-2-7(8)11/h6,9-10H,1-5H2
InChIKeyBDYJAUUACKDRQJ-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.11
Rot. Bonds4

About 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one

1-(2,3-dihydroxypropoxy)pyrrolidin-2-one (PubChem CID 67465039) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropoxy)pyrrolidin-2-one
PubChem CID67465039
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(2,3-dihydroxypropoxy)pyrrolidin-2-one
SMILESO=C1CCCN1OCC(O)CO
InChIInChI=1S/C7H13NO4/c9-4-6(10)5-12-8-3-1-2-7(8)11/h6,9-10H,1-5H2
InChIKeyBDYJAUUACKDRQJ-UHFFFAOYSA-N
XLogP-1.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one (CID 67465039) is 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one is O=C1CCCN1OCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one?
The InChIKey is BDYJAUUACKDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-6(10)5-12-8-3-1-2-7(8)11/h6,9-10H,1-5H2.
What are the key properties of 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one?
1-(2,3-dihydroxypropoxy)pyrrolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropoxy)pyrrolidin-2-one is sourced from PubChem (CID 67465039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).