3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione

C18H15NO4 — CID 54691181

IUPAC3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione
SMILESO=c1oc2cc3n(c(=O)c2c(O)c1Cc1ccccc1)CCC3
InChIInChI=1S/C18H15NO4/c20-16-13(9-11-5-2-1-3-6-11)18(22)23-14-10-12-7-4-8-19(12)17(21)15(14)16/h1-3,5-6,10,20H,4,7-9H2
InChIKeyIKYFNITZBKDFDW-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.20
Rot. Bonds2

About 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione

3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione (PubChem CID 54691181) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione
PubChem CID54691181
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione
SMILESO=c1oc2cc3n(c(=O)c2c(O)c1Cc1ccccc1)CCC3
InChIInChI=1S/C18H15NO4/c20-16-13(9-11-5-2-1-3-6-11)18(22)23-14-10-12-7-4-8-19(12)17(21)15(14)16/h1-3,5-6,10,20H,4,7-9H2
InChIKeyIKYFNITZBKDFDW-UHFFFAOYSA-N
XLogP2.20
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione?
The IUPAC name of 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione (CID 54691181) is 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione?
The canonical SMILES for 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione is O=c1oc2cc3n(c(=O)c2c(O)c1Cc1ccccc1)CCC3.
What is the InChIKey of 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione?
The InChIKey is IKYFNITZBKDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16-13(9-11-5-2-1-3-6-11)18(22)23-14-10-12-7-4-8-19(12)17(21)15(14)16/h1-3,5-6,10,20H,4,7-9H2.
What are the key properties of 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione?
3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione has a molecular weight of 309.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione is sourced from PubChem (CID 54691181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).