2,3-dihydro-1H-inden-2-yl N-methylcarbamate

C11H13NO2 — CID 23548774

IUPAC2,3-dihydro-1H-inden-2-yl N-methylcarbamate
SMILESCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2/c1-12-11(13)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyXBUUKBSFWHFJRY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.51
Rot. Bonds1

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

2,3-dihydro-1H-inden-2-yl N-methylcarbamate (PubChem CID 23548774) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl N-methylcarbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl N-methylcarbamate
PubChem CID23548774
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,3-dihydro-1H-inden-2-yl N-methylcarbamate
SMILESCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2/c1-12-11(13)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyXBUUKBSFWHFJRY-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl N-methylcarbamate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl N-methylcarbamate (CID 23548774) is 2,3-dihydro-1H-inden-2-yl N-methylcarbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl N-methylcarbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl N-methylcarbamate is CNC(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl N-methylcarbamate?
The InChIKey is XBUUKBSFWHFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-11(13)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 2,3-dihydro-1H-inden-2-yl N-methylcarbamate?
2,3-dihydro-1H-inden-2-yl N-methylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl N-methylcarbamate is sourced from PubChem (CID 23548774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).