(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one

C10H15NO — CID 10964868

IUPAC(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESC/C=C1\CC(=O)N2CCCCC12
InChIInChI=1S/C10H15NO/c1-2-8-7-10(12)11-6-4-3-5-9(8)11/h2,9H,3-7H2,1H3/b8-2+
InChIKeyZMCOODWGKWSMCV-KRXBUXKQSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

About (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one

(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 10964868) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID10964868
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESC/C=C1\CC(=O)N2CCCCC12
InChIInChI=1S/C10H15NO/c1-2-8-7-10(12)11-6-4-3-5-9(8)11/h2,9H,3-7H2,1H3/b8-2+
InChIKeyZMCOODWGKWSMCV-KRXBUXKQSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
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 (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 10964868) is (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one is C/C=C1\CC(=O)N2CCCCC12.
What is the InChIKey of (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is ZMCOODWGKWSMCV-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-7-10(12)11-6-4-3-5-9(8)11/h2,9H,3-7H2,1H3/b8-2+.
What are the key properties of (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 10964868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).