7-tert-butyl-2,3-dihydro-1H-indolizin-5-one

C12H17NO — CID 86102371

IUPAC7-tert-butyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC(C)(C)c1cc2n(c(=O)c1)CCC2
InChIInChI=1S/C12H17NO/c1-12(2,3)9-7-10-5-4-6-13(10)11(14)8-9/h7-8H,4-6H2,1-3H3
InChIKeyFZYAEVSHIUWGDI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.09
Rot. Bonds

About 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one

7-tert-butyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 86102371) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-tert-butyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID86102371
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-tert-butyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC(C)(C)c1cc2n(c(=O)c1)CCC2
InChIInChI=1S/C12H17NO/c1-12(2,3)9-7-10-5-4-6-13(10)11(14)8-9/h7-8H,4-6H2,1-3H3
InChIKeyFZYAEVSHIUWGDI-UHFFFAOYSA-N
XLogP2.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one (CID 86102371) is 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one is CC(C)(C)c1cc2n(c(=O)c1)CCC2.
What is the InChIKey of 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is FZYAEVSHIUWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)9-7-10-5-4-6-13(10)11(14)8-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one?
7-tert-butyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 191.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 86102371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).