methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate

C11H19NO2 — CID 83915860

IUPACmethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
SMILESCOC(=O)C1CNC2CCCCC2C1
InChIInChI=1S/C11H19NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h8-10,12H,2-7H2,1H3
InChIKeyPHEFKYSTLHCFSP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds1

About methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate

methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate (PubChem CID 83915860) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
PubChem CID83915860
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
SMILESCOC(=O)C1CNC2CCCCC2C1
InChIInChI=1S/C11H19NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h8-10,12H,2-7H2,1H3
InChIKeyPHEFKYSTLHCFSP-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-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

Methyl decahydroquinoline-6-carboxylate
CID 13616919
Methyl 2-azabicyclo(2.2.2)octane-6-carboxylate hydrochloride
CID 20252031
Methyl 6-ethylpiperidine-3-carboxylate
CID 67033324
Methyl 2,6-dimethylpiperidine-3-carboxylate hydrochloride
CID 122163899
Decahydroquinoline-3-carboxylic acid hydrochloride
CID 134690723
rac-ethyl (4aR,8aR)-decahydroquinoline-4a-carboxylate
CID 137944979
Methyl 6-azaspiro[4.5]decane-8-carboxylate
CID 145913475
Methyl 5-azaspiro(3.5)nonane-7-carboxylate
CID 145915477
Methyl 9-oxa-1-azaspiro(5.5)undecane-3-carboxylate
CID 146082467
rac-methyl(3R,4aS,8aR)-decahydroquinoline-3-carboxylatehydrochloride
CID 146155167
methyl (1R,5R,9R)-2-azabicyclo[3.3.1]nonane-9-carboxylate
CID 102104419
Quinoline, trans-decahydro-4-methoxycarbonyl-2-methyl-
CID 171716148

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The IUPAC name of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate (CID 83915860) is methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate is COC(=O)C1CNC2CCCCC2C1.
What is the InChIKey of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The InChIKey is PHEFKYSTLHCFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate is sourced from PubChem (CID 83915860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).