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

C11H19NO2 — CID 12741296

IUPACmethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
SMILESCOC(=O)C1CCCC2NCCCC21
InChIInChI=1S/C11H19NO2/c1-14-11(13)9-4-2-6-10-8(9)5-3-7-12-10/h8-10,12H,2-7H2,1H3
InChIKeySMIGDHLMKLFIIG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds1

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

methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate (PubChem CID 12741296) 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-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
PubChem CID12741296
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
SMILESCOC(=O)C1CCCC2NCCCC21
InChIInChI=1S/C11H19NO2/c1-14-11(13)9-4-2-6-10-8(9)5-3-7-12-10/h8-10,12H,2-7H2,1H3
InChIKeySMIGDHLMKLFIIG-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-5-carboxylate with MolForge

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Related Compounds

methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
CID 129413164
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
dimethyl (3aS,4S,7R,8R,8aS)-8-hydroxy-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-4,7-dicarboxylate
CID 25172138
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 129413165
tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate
CID 107237046
methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 105496106
methyl 2-bromocyclopentane-1-carboxylate
CID 165357827

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate?
The IUPAC name of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate (CID 12741296) is methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate.
What is the SMILES notation for methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate?
The canonical SMILES for methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate is COC(=O)C1CCCC2NCCCC21.
What is the InChIKey of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate?
The InChIKey is SMIGDHLMKLFIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(13)9-4-2-6-10-8(9)5-3-7-12-10/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate?
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-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-5-carboxylate is sourced from PubChem (CID 12741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).