(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one

C8H13NO — CID 45087810

IUPAC(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESO=C1CCN2CCC[C@H]2C1
InChIInChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2/t7-/m0/s1
InChIKeyCQTKSBAHMPWPQD-ZETCQYMHSA-N
MW139.20 g/mol
LogP0.81
Rot. Bonds

About (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one

(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (PubChem CID 45087810) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
PubChem CID45087810
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESO=C1CCN2CCC[C@H]2C1
InChIInChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2/t7-/m0/s1
InChIKeyCQTKSBAHMPWPQD-ZETCQYMHSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The IUPAC name of (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (CID 45087810) is (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.
What is the SMILES notation for (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The canonical SMILES for (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is O=C1CCN2CCC[C@H]2C1.
What is the InChIKey of (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The InChIKey is CQTKSBAHMPWPQD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
(8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one has a molecular weight of 139.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is sourced from PubChem (CID 45087810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).