(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one

C11H14N2O2 — CID 59975157

IUPAC(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one
SMILESCNc1ccc2n(c1=O)[C@H](C(C)=O)CC2
InChIInChI=1S/C11H14N2O2/c1-7(14)10-6-4-8-3-5-9(12-2)11(15)13(8)10/h3,5,10,12H,4,6H2,1-2H3/t10-/m0/s1
InChIKeyAPHNXRNLARMKNY-JTQLQIEISA-N
MW206.25 g/mol
LogP0.97
Rot. Bonds2

About (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one

(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 59975157) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one
PubChem CID59975157
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one
SMILESCNc1ccc2n(c1=O)[C@H](C(C)=O)CC2
InChIInChI=1S/C11H14N2O2/c1-7(14)10-6-4-8-3-5-9(12-2)11(15)13(8)10/h3,5,10,12H,4,6H2,1-2H3/t10-/m0/s1
InChIKeyAPHNXRNLARMKNY-JTQLQIEISA-N
XLogP0.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one (CID 59975157) is (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one is CNc1ccc2n(c1=O)[C@H](C(C)=O)CC2.
What is the InChIKey of (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is APHNXRNLARMKNY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)10-6-4-8-3-5-9(12-2)11(15)13(8)10/h3,5,10,12H,4,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
(3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 206.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetyl-6-(methylamino)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 59975157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).