methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate

C11H14N2O2 — CID 43808489

IUPACmethyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)13-10-4-2-3-8-7-12-6-5-9(8)10/h2-4,12H,5-7H2,1H3,(H,13,14)
InChIKeyFAURJKZTWDABDM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.51
Rot. Bonds1

About methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate

methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate (PubChem CID 43808489) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
PubChem CID43808489
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)13-10-4-2-3-8-7-12-6-5-9(8)10/h2-4,12H,5-7H2,1H3,(H,13,14)
InChIKeyFAURJKZTWDABDM-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate?
The IUPAC name of methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate (CID 43808489) is methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate.
What is the SMILES notation for methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate?
The canonical SMILES for methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate is COC(=O)Nc1cccc2c1CCNC2.
What is the InChIKey of methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate?
The InChIKey is FAURJKZTWDABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)13-10-4-2-3-8-7-12-6-5-9(8)10/h2-4,12H,5-7H2,1H3,(H,13,14).
What are the key properties of methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate?
methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate has a molecular weight of 206.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate is sourced from PubChem (CID 43808489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).