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

C10H15NO — CID 11693960

IUPAC(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC=C[C@@H]1CCCN2C(=O)CC[C@@H]12
InChIInChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeySPWKWORXCHQNNF-BDAKNGLRSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds1

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

(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11693960) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID11693960
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC=C[C@@H]1CCCN2C(=O)CC[C@@H]12
InChIInChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeySPWKWORXCHQNNF-BDAKNGLRSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11693960) is (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C=C[C@@H]1CCCN2C(=O)CC[C@@H]12.
What is the InChIKey of (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is SPWKWORXCHQNNF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1.
What are the key properties of (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11693960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).