(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one

C9H13NO — CID 5324935

IUPAC(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
SMILESC[C@H]1CCC2=CC(=O)CCN21
InChIInChI=1S/C9H13NO/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyUEUHCIQTMGBNHB-ZETCQYMHSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one

(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one (PubChem CID 5324935) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
PubChem CID5324935
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
SMILESC[C@H]1CCC2=CC(=O)CCN21
InChIInChI=1S/C9H13NO/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyUEUHCIQTMGBNHB-ZETCQYMHSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The IUPAC name of (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one (CID 5324935) is (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one is C[C@H]1CCC2=CC(=O)CCN21.
What is the InChIKey of (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The InChIKey is UEUHCIQTMGBNHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 5324935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).