methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate

C16H19NO2 — CID 54517206

IUPACmethyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate
SMILESCOC(=O)C=C1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C16H19NO2/c1-19-16(18)11-12-6-8-17-9-7-13-4-2-3-5-14(13)15(17)10-12/h2-5,11,15H,6-10H2,1H3
InChIKeyYNFIFKHUHWEADK-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.48
Rot. Bonds1

About methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate

methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate (PubChem CID 54517206) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate
PubChem CID54517206
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate
SMILESCOC(=O)C=C1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C16H19NO2/c1-19-16(18)11-12-6-8-17-9-7-13-4-2-3-5-14(13)15(17)10-12/h2-5,11,15H,6-10H2,1H3
InChIKeyYNFIFKHUHWEADK-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate?
The IUPAC name of methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate (CID 54517206) is methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate?
The canonical SMILES for methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate is COC(=O)C=C1CCN2CCc3ccccc3C2C1.
What is the InChIKey of methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate?
The InChIKey is YNFIFKHUHWEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-16(18)11-12-6-8-17-9-7-13-4-2-3-5-14(13)15(17)10-12/h2-5,11,15H,6-10H2,1H3.
What are the key properties of methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate?
methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate has a molecular weight of 257.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)acetate is sourced from PubChem (CID 54517206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).