6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one

C13H14N2O4 — CID 161063969

IUPAC6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
SMILESO=C1COc2ccc(N3C[C@H](CO)CC3=O)nc2C1
InChIInChI=1S/C13H14N2O4/c16-6-8-3-13(18)15(5-8)12-2-1-11-10(14-12)4-9(17)7-19-11/h1-2,8,16H,3-7H2/t8-/m1/s1
InChIKeyLDFNMDKVXJRUAP-MRVPVSSYSA-N
MW262.26 g/mol
LogP-0.07
Rot. Bonds2

About 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one

6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one (PubChem CID 161063969) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one.

Molecular Properties

Compound Name6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
PubChem CID161063969
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
SMILESO=C1COc2ccc(N3C[C@H](CO)CC3=O)nc2C1
InChIInChI=1S/C13H14N2O4/c16-6-8-3-13(18)15(5-8)12-2-1-11-10(14-12)4-9(17)7-19-11/h1-2,8,16H,3-7H2/t8-/m1/s1
InChIKeyLDFNMDKVXJRUAP-MRVPVSSYSA-N
XLogP-0.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one with MolForge

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Related Compounds

6-[(4R)-4-[5-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)pentyl]-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
CID 162251730
6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate
CID 161257900
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121
4-(hydroxymethyl)-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168662716
4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168664287
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168662305
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664142
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one?
The IUPAC name of 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one (CID 161063969) is 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one.
What is the SMILES notation for 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one?
The canonical SMILES for 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one is O=C1COc2ccc(N3C[C@H](CO)CC3=O)nc2C1.
What is the InChIKey of 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one?
The InChIKey is LDFNMDKVXJRUAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-6-8-3-13(18)15(5-8)12-2-1-11-10(14-12)4-9(17)7-19-11/h1-2,8,16H,3-7H2/t8-/m1/s1.
What are the key properties of 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one?
6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one has a molecular weight of 262.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one is sourced from PubChem (CID 161063969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).