4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one

C13H15N3O2 — CID 168663176

IUPAC4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccc2nccn2c1
InChIInChI=1S/C13H15N3O2/c17-9-11-5-13(18)16(8-11)7-10-1-2-12-14-3-4-15(12)6-10/h1-4,6,11,17H,5,7-9H2
InChIKeyYGKVKHKZKQEWCQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.68
Rot. Bonds3

About 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one (PubChem CID 168663176) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
PubChem CID168663176
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccc2nccn2c1
InChIInChI=1S/C13H15N3O2/c17-9-11-5-13(18)16(8-11)7-10-1-2-12-14-3-4-15(12)6-10/h1-4,6,11,17H,5,7-9H2
InChIKeyYGKVKHKZKQEWCQ-UHFFFAOYSA-N
XLogP0.68
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one (CID 168663176) is 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one is O=C1CC(CO)CN1Cc1ccc2nccn2c1.
What is the InChIKey of 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one?
The InChIKey is YGKVKHKZKQEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-11-5-13(18)16(8-11)7-10-1-2-12-14-3-4-15(12)6-10/h1-4,6,11,17H,5,7-9H2.
What are the key properties of 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).