3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one

C9H15NO3 — CID 62014143

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCCC1CO
InChIInChI=1S/C9H15NO3/c11-6-7-2-1-4-10(7)8-3-5-13-9(8)12/h7-8,11H,1-6H2
InChIKeyMVTBHSORBXUAEU-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.24
Rot. Bonds2

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one

3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one (PubChem CID 62014143) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one
PubChem CID62014143
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCCC1CO
InChIInChI=1S/C9H15NO3/c11-6-7-2-1-4-10(7)8-3-5-13-9(8)12/h7-8,11H,1-6H2
InChIKeyMVTBHSORBXUAEU-UHFFFAOYSA-N
XLogP-0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one (CID 62014143) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one is O=C1OCCC1N1CCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is MVTBHSORBXUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-6-7-2-1-4-10(7)8-3-5-13-9(8)12/h7-8,11H,1-6H2.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 185.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 62014143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).