5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one

C10H13NO — CID 19361021

IUPAC5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one
SMILESC=C1CCC(=C)N2CCC(=O)C12
InChIInChI=1S/C10H13NO/c1-7-3-4-8(2)11-6-5-9(12)10(7)11/h10H,1-6H2
InChIKeyYWZUTEZASYDCMH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds

About 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one

5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one (PubChem CID 19361021) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one.

Molecular Properties

Compound Name5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one
PubChem CID19361021
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one
SMILESC=C1CCC(=C)N2CCC(=O)C12
InChIInChI=1S/C10H13NO/c1-7-3-4-8(2)11-6-5-9(12)10(7)11/h10H,1-6H2
InChIKeyYWZUTEZASYDCMH-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
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 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one?
The IUPAC name of 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one (CID 19361021) is 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one.
What is the SMILES notation for 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one?
The canonical SMILES for 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one is C=C1CCC(=C)N2CCC(=O)C12.
What is the InChIKey of 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one?
The InChIKey is YWZUTEZASYDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-3-4-8(2)11-6-5-9(12)10(7)11/h10H,1-6H2.
What are the key properties of 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one?
5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylidene-3,6,7,8a-tetrahydro-2H-indolizin-1-one is sourced from PubChem (CID 19361021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).