methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate

C11H13NO2 — CID 10487956

IUPACmethyl 5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h6-7H,2-5H2,1H3
InChIKeyYIGRWHJCORERRW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.75
Rot. Bonds1

About methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate

methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate (PubChem CID 10487956) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6,7,8-tetrahydroquinoline-2-carboxylate
PubChem CID10487956
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h6-7H,2-5H2,1H3
InChIKeyYIGRWHJCORERRW-UHFFFAOYSA-N
XLogP1.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate?
The IUPAC name of methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate (CID 10487956) is methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate is COC(=O)c1ccc2c(n1)CCCC2.
What is the InChIKey of methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate?
The InChIKey is YIGRWHJCORERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h6-7H,2-5H2,1H3.
What are the key properties of methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate?
methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 10487956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).