methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate

C11H17NO2 — CID 71384885

IUPACmethyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
SMILESCOC(=O)C1=CCCN2CCCCC12
InChIInChI=1S/C11H17NO2/c1-14-11(13)9-5-4-8-12-7-3-2-6-10(9)12/h5,10H,2-4,6-8H2,1H3
InChIKeyOTQMJNVZZCVBEV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds1

About methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate

methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate (PubChem CID 71384885) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
PubChem CID71384885
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
SMILESCOC(=O)C1=CCCN2CCCCC12
InChIInChI=1S/C11H17NO2/c1-14-11(13)9-5-4-8-12-7-3-2-6-10(9)12/h5,10H,2-4,6-8H2,1H3
InChIKeyOTQMJNVZZCVBEV-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate?
The IUPAC name of methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate (CID 71384885) is methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate.
What is the SMILES notation for methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate?
The canonical SMILES for methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate is COC(=O)C1=CCCN2CCCCC12.
What is the InChIKey of methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate?
The InChIKey is OTQMJNVZZCVBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11(13)9-5-4-8-12-7-3-2-6-10(9)12/h5,10H,2-4,6-8H2,1H3.
What are the key properties of methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate?
methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate is sourced from PubChem (CID 71384885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).