5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate

C12H15NO2 — CID 14344

IUPAC5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C12H15NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKeyFDHRBCMXYSGNPA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.28
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate

5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate (PubChem CID 14344) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate
PubChem CID14344
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C12H15NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKeyFDHRBCMXYSGNPA-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate (CID 14344) is 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate is CNC(=O)Oc1cccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate?
The InChIKey is FDHRBCMXYSGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,13,14).
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate?
5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate is sourced from PubChem (CID 14344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).