methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate

C11H15NO2 — CID 135144533

IUPACmethyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate
SMILESCOC(=O)C1=CC=C2NCCCC2C1
InChIInChI=1S/C11H15NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyHOCHWCJKLORPDT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds1

About methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate

methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate (PubChem CID 135144533) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate
PubChem CID135144533
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate
SMILESCOC(=O)C1=CC=C2NCCCC2C1
InChIInChI=1S/C11H15NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyHOCHWCJKLORPDT-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate?
The IUPAC name of methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate (CID 135144533) is methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate.
What is the SMILES notation for methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate?
The canonical SMILES for methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate is COC(=O)C1=CC=C2NCCCC2C1.
What is the InChIKey of methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate?
The InChIKey is HOCHWCJKLORPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate?
methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 1.37, 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-hexahydroquinoline-6-carboxylate is sourced from PubChem (CID 135144533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).