6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one

C11H14INO — CID 86245053

IUPAC6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCCc1cc2n(c(=O)c1I)CCC2
InChIInChI=1S/C11H14INO/c1-2-4-8-7-9-5-3-6-13(9)11(14)10(8)12/h7H,2-6H2,1H3
InChIKeyWKYVOJKZLOQMSJ-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.35
Rot. Bonds2

About 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one

6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 86245053) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID86245053
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCCc1cc2n(c(=O)c1I)CCC2
InChIInChI=1S/C11H14INO/c1-2-4-8-7-9-5-3-6-13(9)11(14)10(8)12/h7H,2-6H2,1H3
InChIKeyWKYVOJKZLOQMSJ-UHFFFAOYSA-N
XLogP2.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one (CID 86245053) is 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one is CCCc1cc2n(c(=O)c1I)CCC2.
What is the InChIKey of 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is WKYVOJKZLOQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-2-4-8-7-9-5-3-6-13(9)11(14)10(8)12/h7H,2-6H2,1H3.
What are the key properties of 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one?
6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 303.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-propyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 86245053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).