(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one

C10H15NO — CID 58718244

IUPAC(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC=C1C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H15NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h2,9H,3-7H2,1H3/t9-/m0/s1
InChIKeyABHWMLRKOIOPCQ-VIFPVBQESA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds

About (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one

(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 58718244) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID58718244
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC=C1C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H15NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h2,9H,3-7H2,1H3/t9-/m0/s1
InChIKeyABHWMLRKOIOPCQ-VIFPVBQESA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one (CID 58718244) is (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one is CC=C1C[C@H]2CC(=O)CCN2C1.
What is the InChIKey of (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is ABHWMLRKOIOPCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-5-9-6-10(12)3-4-11(9)7-8/h2,9H,3-7H2,1H3/t9-/m0/s1.
What are the key properties of (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one?
(8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 165.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 58718244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).