6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C13H15N3O3 — CID 64868082

IUPAC6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(O)C3CCCN3)cc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c17-11(9-2-1-5-14-9)7-3-4-8-10(6-7)16-13(19)12(18)15-8/h3-4,6,9,11,14,17H,1-2,5H2,(H,15,18)(H,16,19)
InChIKeyUYWXUXZAPWRMCD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.00
Rot. Bonds2

About 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 64868082) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID64868082
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(O)C3CCCN3)cc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c17-11(9-2-1-5-14-9)7-3-4-8-10(6-7)16-13(19)12(18)15-8/h3-4,6,9,11,14,17H,1-2,5H2,(H,15,18)(H,16,19)
InChIKeyUYWXUXZAPWRMCD-UHFFFAOYSA-N
XLogP0.00
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 64868082) is 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(C(O)C3CCCN3)cc2[nH]c1=O.
What is the InChIKey of 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is UYWXUXZAPWRMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11(9-2-1-5-14-9)7-3-4-8-10(6-7)16-13(19)12(18)15-8/h3-4,6,9,11,14,17H,1-2,5H2,(H,15,18)(H,16,19).
What are the key properties of 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 261.28 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 64868082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).