ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate

C12H21NO2 — CID 12519345

IUPACethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
SMILESCCOC(=O)C1CCC2CCCCN2C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3
InChIKeyICWZXKPBSHGFEO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds2

About ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate

ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate (PubChem CID 12519345) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
PubChem CID12519345
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
SMILESCCOC(=O)C1CCC2CCCCN2C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3
InChIKeyICWZXKPBSHGFEO-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2,3,4,6,7,8,9,9a-octahydro-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

ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate?
The IUPAC name of ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate (CID 12519345) is ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate.
What is the SMILES notation for ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate?
The canonical SMILES for ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate is CCOC(=O)C1CCC2CCCCN2C1.
What is the InChIKey of ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate?
The InChIKey is ICWZXKPBSHGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate?
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate is sourced from PubChem (CID 12519345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).