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

C24H38N2O2 — CID 158410856

IUPAC(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESC/C=C1/C[C@H]2C(C)CC(C)C(=O)N2C1.C/C=C1\C[C@H]2C(C)CC(C)C(=O)N2C1
InChIInChI=1S/2C12H19NO/c2*1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h2*4,8-9,11H,5-7H2,1-3H3/b10-4+;10-4-/t2*8?,9?,11-/m00/s1
InChIKeyGZHGVEOKNOBBDQ-WRKQQIDWSA-N
MW386.58 g/mol
LogP4.42
Rot. Bonds

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

(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (PubChem CID 158410856) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
PubChem CID158410856
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESC/C=C1/C[C@H]2C(C)CC(C)C(=O)N2C1.C/C=C1\C[C@H]2C(C)CC(C)C(=O)N2C1
InChIInChI=1S/2C12H19NO/c2*1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h2*4,8-9,11H,5-7H2,1-3H3/b10-4+;10-4-/t2*8?,9?,11-/m00/s1
InChIKeyGZHGVEOKNOBBDQ-WRKQQIDWSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The IUPAC name of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (CID 158410856) is (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.
What is the SMILES notation for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The canonical SMILES for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is C/C=C1/C[C@H]2C(C)CC(C)C(=O)N2C1.C/C=C1\C[C@H]2C(C)CC(C)C(=O)N2C1.
What is the InChIKey of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The InChIKey is GZHGVEOKNOBBDQ-WRKQQIDWSA-N. The full InChI is InChI=1S/2C12H19NO/c2*1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h2*4,8-9,11H,5-7H2,1-3H3/b10-4+;10-4-/t2*8?,9?,11-/m00/s1.
What are the key properties of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one has a molecular weight of 386.58 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 158410856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).