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

C10H13N3O2 — CID 168701326

IUPAC4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(CO)cn2)C1
InChIInChI=1S/C10H13N3O2/c11-8-3-10(15)13(5-8)9-2-1-7(6-14)4-12-9/h1-2,4,8,14H,3,5-6,11H2
InChIKeyRXLZKTDTZBKMRU-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.36
Rot. Bonds2

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

4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 168701326) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID168701326
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(CO)cn2)C1
InChIInChI=1S/C10H13N3O2/c11-8-3-10(15)13(5-8)9-2-1-7(6-14)4-12-9/h1-2,4,8,14H,3,5-6,11H2
InChIKeyRXLZKTDTZBKMRU-UHFFFAOYSA-N
XLogP-0.36
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one (CID 168701326) is 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(CO)cn2)C1.
What is the InChIKey of 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is RXLZKTDTZBKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-3-10(15)13(5-8)9-2-1-7(6-14)4-12-9/h1-2,4,8,14H,3,5-6,11H2.
What are the key properties of 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one?
4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168701326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).