(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C8H11NO — CID 129395198

IUPAC(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=CC[C@H]2CCCN12
InChIInChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,5,7H,2-4,6H2/t7-/m0/s1
InChIKeyOGLYOSZBLDFBFC-ZETCQYMHSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 129395198) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID129395198
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=CC[C@H]2CCCN12
InChIInChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,5,7H,2-4,6H2/t7-/m0/s1
InChIKeyOGLYOSZBLDFBFC-ZETCQYMHSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 129395198) is (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C=CC[C@H]2CCCN12.
What is the InChIKey of (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is OGLYOSZBLDFBFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,5,7H,2-4,6H2/t7-/m0/s1.
What are the key properties of (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 137.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 129395198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).