methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate

C12H19NO2 — CID 12032727

IUPACmethyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCN2CCCCC12
InChIInChI=1S/C12H19NO2/c1-15-12(14)9-10-5-4-8-13-7-3-2-6-11(10)13/h9,11H,2-8H2,1H3/b10-9-
InChIKeyFNCOFOHUQJLUII-KTKRTIGZSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds1

About methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate

methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate (PubChem CID 12032727) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
PubChem CID12032727
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCN2CCCCC12
InChIInChI=1S/C12H19NO2/c1-15-12(14)9-10-5-4-8-13-7-3-2-6-11(10)13/h9,11H,2-8H2,1H3/b10-9-
InChIKeyFNCOFOHUQJLUII-KTKRTIGZSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate with MolForge

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Related Compounds

Methyl 13-azatricyclo[7.3.1.05,13]trideca-1,3-diene-2-carboxylate
CID 135012866
methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
CID 139265277
methyl (2E)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
CID 10750922
ethyl (2E)-2-(1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ylidene)acetate
CID 70080753
Ethyl 2-(1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ylidene)acetate
CID 70080755
ethyl 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene]acetate
CID 10421155
methyl 4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
CID 12148026
methyl (5S,9S)-13-azatricyclo[7.3.1.05,13]trideca-1,3-diene-2-carboxylate
CID 16121961
methyl (7E)-2,3,4,6,9,10,11,11a-octahydro-1H-pyrido[1,2-a]azocine-7-carboxylate
CID 16744516
methyl 4-methyl-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
CID 16744844
Methyl 1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepine-7-carboxylate
CID 16744998
Methyl [3-(piperidin-1-yl)cyclohexylidene]acetate
CID 71383662

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate (CID 12032727) is methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate is COC(=O)/C=C1/CCCN2CCCCC12.
What is the InChIKey of methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate?
The InChIKey is FNCOFOHUQJLUII-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-12(14)9-10-5-4-8-13-7-3-2-6-11(10)13/h9,11H,2-8H2,1H3/b10-9-.
What are the key properties of methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate?
methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate has a molecular weight of 209.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate is sourced from PubChem (CID 12032727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).