4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one

C11H14N2O3 — CID 168664287

IUPAC4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(CO)cn1
InChIInChI=1S/C11H14N2O3/c14-6-8-1-2-10(12-4-8)13-5-9(7-15)3-11(13)16/h1-2,4,9,14-15H,3,5-7H2
InChIKeyDNWJSQUYADSJBR-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.08
Rot. Bonds3

About 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 168664287) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID168664287
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(CO)cn1
InChIInChI=1S/C11H14N2O3/c14-6-8-1-2-10(12-4-8)13-5-9(7-15)3-11(13)16/h1-2,4,9,14-15H,3,5-7H2
InChIKeyDNWJSQUYADSJBR-UHFFFAOYSA-N
XLogP-0.08
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one (CID 168664287) is 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(CO)cn1.
What is the InChIKey of 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is DNWJSQUYADSJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-6-8-1-2-10(12-4-8)13-5-9(7-15)3-11(13)16/h1-2,4,9,14-15H,3,5-7H2.
What are the key properties of 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168664287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).