2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one

C14H13NO2 — CID 102396612

IUPAC2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one
SMILESO=C1CCC2c3c(oc4ccccc34)CCN12
InChIInChI=1S/C14H13NO2/c16-13-6-5-10-14-9-3-1-2-4-11(9)17-12(14)7-8-15(10)13/h1-4,10H,5-8H2
InChIKeyWNGDJFMPFHNFDR-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.65
Rot. Bonds

About 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one

2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one (PubChem CID 102396612) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one.

Molecular Properties

Compound Name2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one
PubChem CID102396612
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one
SMILESO=C1CCC2c3c(oc4ccccc34)CCN12
InChIInChI=1S/C14H13NO2/c16-13-6-5-10-14-9-3-1-2-4-11(9)17-12(14)7-8-15(10)13/h1-4,10H,5-8H2
InChIKeyWNGDJFMPFHNFDR-UHFFFAOYSA-N
XLogP2.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one?
The IUPAC name of 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one (CID 102396612) is 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one.
What is the SMILES notation for 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one?
The canonical SMILES for 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one is O=C1CCC2c3c(oc4ccccc34)CCN12.
What is the InChIKey of 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one?
The InChIKey is WNGDJFMPFHNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-6-5-10-14-9-3-1-2-4-11(9)17-12(14)7-8-15(10)13/h1-4,10H,5-8H2.
What are the key properties of 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one?
2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one has a molecular weight of 227.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one is sourced from PubChem (CID 102396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).