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

C12H19NO — CID 130466253

IUPAC(2Z,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
InChIInChI=1S/C12H19NO/c1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h4,8-9,11H,5-7H2,1-3H3/b10-4-/t8?,9?,11-/m0/s1
InChIKeyNNVZKMMCCPYXGP-RYTQKTORSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds

About (2Z,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 (PubChem CID 130466253) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2Z,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
PubChem CID130466253
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2Z,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
InChIInChI=1S/C12H19NO/c1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h4,8-9,11H,5-7H2,1-3H3/b10-4-/t8?,9?,11-/m0/s1
InChIKeyNNVZKMMCCPYXGP-RYTQKTORSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 with MolForge

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Related Compounds

8-prop-2-enyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 17756831
1,2,3,6,8,9,10,11,11a,11b-Decahydrobenzo[a]quinolizin-4-one
CID 10774629
(11aS)-1,2,3,6,7,9,10,11-octahydropyrrolo[2,1-j]quinolin-5-one
CID 25172533
(1R,8aS)-1-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134833782
(4S,8R)-1-azatricyclo[6.3.1.04,12]dodec-5-en-11-one
CID 135075821
7,7,11-Trimethyl-6-azatricyclo[6.3.1.0(2,6)]dodec-10-en-5-one
CID 564564
(6E)-6-heptylidene-8-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 10848111
(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 10856344
(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 10964868
(3E)-3-(2-methylpropylidene)-1,6-di(propan-2-yl)piperidin-2-one
CID 57579837
1-Azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one
CID 58709752
1-(4-Propan-2-yl-2,3,3a,6,7,7a-hexahydroindol-1-yl)butan-1-one
CID 89933292

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?
The IUPAC name of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (CID 130466253) is (2Z,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?
The canonical SMILES for (2Z,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.
What is the InChIKey of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The InChIKey is NNVZKMMCCPYXGP-RYTQKTORSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h4,8-9,11H,5-7H2,1-3H3/b10-4-/t8?,9?,11-/m0/s1.
What are the key properties of (2Z,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 has a molecular weight of 193.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 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 is sourced from PubChem (CID 130466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).