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

C11H17NO2 — CID 139265277

IUPACmethyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
SMILESCOC(=O)C1=CC[C@H]2CCCCN2C1
InChIInChI=1S/C11H17NO2/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1
InChIKeyKBBUDWGMESWBPO-SNVBAGLBSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds1

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

methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate (PubChem CID 139265277) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
PubChem CID139265277
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
SMILESCOC(=O)C1=CC[C@H]2CCCCN2C1
InChIInChI=1S/C11H17NO2/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1
InChIKeyKBBUDWGMESWBPO-SNVBAGLBSA-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

Analyze methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-Dehydro-3-tigloyloxytropane
CID 129846299
ethyl (9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
CID 12319223
methyl (1E,9E)-10-piperidin-1-ylcyclodeca-1,9-diene-1-carboxylate
CID 21628468
methyl (2E)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
CID 10750922
methyl (2Z)-2-(2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ylidene)acetate
CID 12032727
Ethyl 1,3,4,6,7,9a-hexahydro-2H-quinolizine-9-carboxylate
CID 12319222
methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 14182297
methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 14288736
Methyl 1-azabicyclo[3.3.1]non-3-ene-3-carboxylate
CID 19848691
Methyl 1-azabicyclo[3.3.1]non-3-ene-3-carboxylate;hydrochloride
CID 19848693
methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 69076773
Ethyl 2-(1,2-dimethylpiperidin-4-ylidene)acetate
CID 123139021

Frequently Asked Questions

What is the IUPAC name of methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The IUPAC name of methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate (CID 139265277) is methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate.
What is the SMILES notation for methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The canonical SMILES for methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate is COC(=O)C1=CC[C@H]2CCCCN2C1.
What is the InChIKey of methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
The InChIKey is KBBUDWGMESWBPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11(13)9-5-6-10-4-2-3-7-12(10)8-9/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate?
methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-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 (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate is sourced from PubChem (CID 139265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).