6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione

C15H18N4O2 — CID 82824593

IUPAC6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCN4CCCC34)cc2[nH]c1=O
InChIInChI=1S/C15H18N4O2/c20-14-15(21)18-12-8-9(3-4-10(12)17-14)16-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13,16H,1-2,5-7H2,(H,17,20)(H,18,21)
InChIKeyIXLIBDXFNZYEBE-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.87
Rot. Bonds2

About 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione

6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 82824593) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID82824593
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCN4CCCC34)cc2[nH]c1=O
InChIInChI=1S/C15H18N4O2/c20-14-15(21)18-12-8-9(3-4-10(12)17-14)16-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13,16H,1-2,5-7H2,(H,17,20)(H,18,21)
InChIKeyIXLIBDXFNZYEBE-UHFFFAOYSA-N
XLogP0.87
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
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-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 82824593) is 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NC3CCN4CCCC34)cc2[nH]c1=O.
What is the InChIKey of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is IXLIBDXFNZYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-15(21)18-12-8-9(3-4-10(12)17-14)16-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13,16H,1-2,5-7H2,(H,17,20)(H,18,21).
What are the key properties of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 286.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 82824593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).