methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

C12H15NO2 — CID 134792071

IUPACmethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-13(12(14)15-2)11-8-7-9-5-3-4-6-10(9)11/h3-6,11H,7-8H2,1-2H3
InChIKeyAEFCNVKZSCGLJZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds1

About methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (PubChem CID 134792071) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
PubChem CID134792071
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-13(12(14)15-2)11-8-7-9-5-3-4-6-10(9)11/h3-6,11H,7-8H2,1-2H3
InChIKeyAEFCNVKZSCGLJZ-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The IUPAC name of methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (CID 134792071) is methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The canonical SMILES for methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is COC(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The InChIKey is AEFCNVKZSCGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(12(14)15-2)11-8-7-9-5-3-4-6-10(9)11/h3-6,11H,7-8H2,1-2H3.
What are the key properties of methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is sourced from PubChem (CID 134792071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).